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2-Nitrobenzenecarbothioic acid S-(4-methylphenyl) ester
SpectraBase Compound ID DQXLCJPZYFV
InChI InChI=1S/C14H11NO3S/c1-10-6-8-11(9-7-10)19-14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3
InChIKey KUIPKMHSQYKLKP-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 B0tlmgJyCPo
Name 2-Nitrobenzenecarbothioic acid S-(4-methylphenyl) ester
CAS Registry Number 52909-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO3S
InChI InChI=1S/C14H11NO3S/c1-10-6-8-11(9-7-10)19-14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3
InChIKey KUIPKMHSQYKLKP-UHFFFAOYSA-N
Molecular Weight 273.306 g/mol
SMILES c1(N(=O)=O)c(C(Sc2ccc(cc2)C)=O)cccc1
SPLASH splash10-0ug0-9700000000-776496b982a2502c479a
Source of Spectrum O-8-319-1
Synonyms 2-Nitrothiobenzoic acid S-(p-tolyl) ester S-(4-methylphenyl) 2-nitrobenzenecarbothioate S-(p-tolyl) 2-nitrobenzenecarbothioate
Wiley ID 1277117