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1,3-Benzenedicarboxylic acid, 5-mercapto-2-nitro-, dimethyl ester
SpectraBase Compound ID Aau3ui381YR
InChI InChI=1S/C10H9NO6S/c1-16-9(12)6-3-5(18)4-7(10(13)17-2)8(6)11(14)15/h3-4,18H,1-2H3
InChIKey RZMZJJGLLDWNOJ-UHFFFAOYSA-N
Mol Weight 271.24 g/mol
Molecular Formula C10H9NO6S
Exact Mass 271.015058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2sZqUaivMe
Name 1,3-Benzenedicarboxylic acid, 5-mercapto-2-nitro-, dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO6S
InChI InChI=1S/C10H9NO6S/c1-16-9(12)6-3-5(18)4-7(10(13)17-2)8(6)11(14)15/h3-4,18H,1-2H3
InChIKey RZMZJJGLLDWNOJ-UHFFFAOYSA-N
Molecular Weight 271.243 g/mol
SMILES Sc1cc(C(OC)=O)c(c(c1)C(=O)OC)[N+]([O-])=O
SPLASH splash10-0bt9-7930000000-b3689c4098fd6c2fe70a
Source of Spectrum JX-2015-2-554
Synonyms Dimethyl 5-mercapto-2-nitroisophthalate Dimethyl 2-nitro-5-sulfanylbenzene-1,3-dicarboxylate 5-Mercapto-2-nitrobenzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 2-nitro-5-sulfanyl-benzene-1,3-dicarboxylate
Wiley ID 1722266