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4-Nitrobenzenecarbothioic acid S-(methylthio) ester
SpectraBase Compound ID 591UUtdD5Jc
InChI InChI=1S/C8H7NO3S2/c1-13-14-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey MALJRINQVQMTTB-UHFFFAOYSA-N
Mol Weight 229.27 g/mol
Molecular Formula C8H7NO3S2
Exact Mass 228.986735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoXu8ebqJtD
Name 4-Nitrobenzenecarbothioic acid S-(methylthio) ester
Alternate Name(s) 4-Nitrothiobenzoic acid S-(methylthio) ester S-methylsulfanyl 4-nitrobenzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3S2
InChI InChI=1S/C8H7NO3S2/c1-13-14-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey MALJRINQVQMTTB-UHFFFAOYSA-N
Molecular Weight 229.268 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)SSC)cc1
SPLASH splash10-0udi-0900000000-987c39cf96a19d5367be
Source of Spectrum SO-0-1040-6
Wiley ID 864421