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Benzenecarbothioic acid, 4-nitro-, S-methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Benzenecarbothioic acid, 4-nitro-, S-methyl ester
SpectraBase Compound ID GGnCq2AcvVY
InChI InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey HVUISGPOCMQVNR-UHFFFAOYSA-N
Mol Weight 197.21 g/mol
Molecular Formula C8H7NO3S
Exact Mass 197.014664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlZX52qNOLO
Name 4-Nitrobenzenecarbothioic acid S-methyl ester
CAS Registry Number 50684-57-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO3S
InChI InChI=1S/C8H7NO3S/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3
InChIKey HVUISGPOCMQVNR-UHFFFAOYSA-N
Molecular Weight 197.208 g/mol
SMILES C(=O)(c1ccc(cc1)N(=O)=O)SC
SPLASH splash10-0udi-4900000000-8e71a1688dbaf2808862
Synonyms S-Methyl 4-nitrobenzenecarbothioate 4-Nitrothiobenzoic acid S-methyl ester Benzenecarbothioic acid, 4-nitro-, S-methyl ester
Wiley ID 1487064