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2,1,3-Benzothiadiazole
SpectraBase Compound ID AE2h9HTVwp1
InChI InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey PDQRQJVPEFGVRK-UHFFFAOYSA-N
Mol Weight 136.17 g/mol
Molecular Formula C6H4N2S
Exact Mass 136.009519 g/mol
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Technique KBr-Pellet
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Technique KBr-Pellet
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Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Technique CAPILLARY CELL: MELT
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Source of Sample Eastman Organic Chemicals, Rochester, New York
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
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Solvent Neat liquid
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent CDCl3
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Solvent Neat liquid
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Solvent DMSO-D6
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Solvent CDCl3
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Solvent Acetone-D6
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Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent ACETONE-D6
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Solvent CS2
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Solvent ACETONE
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Solvent Unknown
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Solvent CDCl3
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Solvent ACETONE
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Solvent DMSO
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Solvent TFE
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Solvent TFA(C=2M)
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Solvent DMSO;CR(ACAC)3=0.02M
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Solvent CHCl3:C6D6=3:1
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Solvent Methanol
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Source of Spectrum W6-4922-0-0
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Source of Spectrum SB-29-623-0
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Source of Spectrum SB-29-624-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum Y-12-831-0
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Source of Spectrum IC-163-0-0
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Source of Sample Aldrich
Catalog Number B10900
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Catalog Number B10900
  • PDQRQJVPEFGVRK-UHFFFAOYSA-N
  • 2,1,3-BENZOTHIADIAZOL
  • BENZO-2,1,3-THIADIAZOL
  • BENZOTHIADIAZOLE, 2,1,3-,
  • Piazthiole
Title Journal or Book Year
Gain in magnetic shielding of the15N nucleus in a successive series of related 10, 12, and 14 ?-electron heterocycles: 2,1,3-bensothiadiazole, 1,3,2,4-benzodithiadiazine, and 1,3,5,2,4-benzotrithiadiazine Chemistry of Heterocyclic Compounds 1995
A15N NMR study of some azoles Organic Magnetic Resonance 1984
Differentiation between isomeric structures of benzazoles by14N,13C and1H NMR Organic Magnetic Resonance 1978
Nitrogen-15 nuclear magnetic resonance spectroscopy. Furazans and related systems The Journal of Organic Chemistry 1978
The13C NMR spectra and structure of 2,1,3-benzoxadiazole,-benzothiadiazole and -benzoselenadiazole Organic Magnetic Resonance 1974

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