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Benzoic acid, 2-[(carboxymethyl)thio]-5-nitro-
SpectraBase Compound ID KPFmwG2gM0B
InChI InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(10(15)16)3-6(7)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKey OHUNNGBOLPPURJ-UHFFFAOYSA-N
Mol Weight 257.22 g/mol
Molecular Formula C9H7NO6S
Exact Mass 256.999408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CcYY3r1RhD
Name Benzoic acid, 2-[(carboxymethyl)thio]-5-nitro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO6S
InChI InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(10(15)16)3-6(7)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKey OHUNNGBOLPPURJ-UHFFFAOYSA-N
Molecular Weight 257.216 g/mol
SMILES OC(CSc1c(C(O)=O)cc(cc1)[N+]([O-])=O)=O
SPLASH splash10-000t-6910000000-8454f2e4baf417ec8c5a
Source of Spectrum JX-2015-1-952
Synonyms 2-((Carboxymethyl)thio)-5-nitrobenzoic acid 2-[(carboxymethyl)sulfanyl]-5-nitrobenzoic acid 2-(Carboxymethylthio)-5-nitrobenzoic acid 2-(Carboxymethylsulfanyl)-5-nitrobenzoic acid 2-(Carboxymethylsulfanyl)-5-nitro-benzoic acid 2-(2-Hydroxy-2-oxoethylsulfanyl)-5-nitro-benzoic acid
Wiley ID 1721718