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2-Benzyl-1-keto-4,6-dinitro-1,2-benzothiazol-3-one
SpectraBase Compound ID ChxJUOItBfd
InChI InChI=1S/C14H9N3O6S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)24(23)15(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey QLSAUETWQATGKK-UHFFFAOYSA-N
Mol Weight 347.3 g/mol
Molecular Formula C14H9N3O6S
Exact Mass 347.021206 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6u9sivpioSI
Name 1,2-benzisothiazol-3(2H)-one, 4,6-dinitro-2-(phenylmethyl)-, 1-oxide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.021206190 u
Formula C14H9N3O6S
InChI InChI=1S/C14H9N3O6S/c18-14-13-11(17(21)22)6-10(16(19)20)7-12(13)24(23)15(14)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey QLSAUETWQATGKK-UHFFFAOYSA-N
Molecular Weight 347.301 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5222
Solvent DMSO-d6
Source Vendor ID: NMR/10210484; Lab Info: SVV; Lab Number: L-17,Zlotin