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Benzenecarbothioic acid, 3-nitro-, S-(4-methylphenyl) ester
SpectraBase Compound ID HCxBQb080Qn
InChI InChI=1S/C14H11NO3S/c1-10-5-7-13(8-6-10)19-14(16)11-3-2-4-12(9-11)15(17)18/h2-9H,1H3
InChIKey UCGGOBKULOTBJR-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C14H11NO3S
Exact Mass 273.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdokCohhHn7
Name Benzenecarbothioic acid, 3-nitro-, S-(4-methylphenyl) ester
CAS Registry Number 52909-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO3S
InChI InChI=1S/C14H11NO3S/c1-10-5-7-13(8-6-10)19-14(16)11-3-2-4-12(9-11)15(17)18/h2-9H,1H3
InChIKey UCGGOBKULOTBJR-UHFFFAOYSA-N
Molecular Weight 273.306 g/mol
SMILES Cc1ccc(cc1)SC(c1cccc(c1)N(=O)=O)=O
SPLASH splash10-0udi-7910000000-8a3748b5b447ec776251
Source of Spectrum O-8-319-2
Synonyms S-(4-Methylphenyl) 3-nitrobenzenecarbothioate 3-Nitrobenzenecarbothioic acid S-(4-methylphenyl) ester 3-Nitrothiobenzoic acid S-(p-tolyl) ester m-Nitrothiobenzoic acid S-p-tolyl ester S-(p-tolyl) 3-nitrobenzenecarbothioate
Wiley ID 1277118