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PYRROLO-[2,3-D]-[1,2,3]-THIADIAZOLE-6-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID FgQQv1Fr3xI
InChI InChI=1S/C6H5N3O2S/c1-11-6(10)3-2-7-5-4(3)12-9-8-5/h2,7H,1H3
InChIKey GGOXXCPNKQZARP-UHFFFAOYSA-N
Mol Weight 183.19 g/mol
Molecular Formula C6H5N3O2S
Exact Mass 183.010248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8Z2SpBxyMh
Name PYRROLO-[2,3-D]-[1,2,3]-THIADIAZOLE-6-CARBOXYLIC-ACID-METHYLESTER
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3O2S
InChI InChI=1S/C6H5N3O2S/c1-11-6(10)3-2-7-5-4(3)12-9-8-5/h2,7H,1H3
InChIKey GGOXXCPNKQZARP-UHFFFAOYSA-N
Literature Reference Author P.STANETTY,M.TURNER,M.D.MIHOVILOVIC
Literature Reference Citation MOLECULES,10,367(2005)
Literature Reference DOI 10.3390/10020367
Molecular Weight 183.185 g/mol
Sample ID 56898
Solvent CDCl3:DMSO-D6=5:1