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4-Nitrobenzenecarbothioic acid S-(cyclohexylthio) ester
SpectraBase Compound ID AOUV2kmeoJD
InChI InChI=1S/C13H15NO3S2/c15-13(19-18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h6-9,12H,1-5H2
InChIKey BSQHFJLNEYUYLN-UHFFFAOYSA-N
Mol Weight 297.39 g/mol
Molecular Formula C13H15NO3S2
Exact Mass 297.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtlVUgTvnv0
Name 4-Nitrobenzenecarbothioic acid S-(cyclohexylthio) ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S2
InChI InChI=1S/C13H15NO3S2/c15-13(19-18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h6-9,12H,1-5H2
InChIKey BSQHFJLNEYUYLN-UHFFFAOYSA-N
Molecular Weight 297.387 g/mol
SMILES c1(N(=O)=O)ccc(C(SSC2CCCCC2)=O)cc1
SPLASH splash10-0udi-0900000000-f42c9802c37e947aff15
Source of Spectrum SO-0-1040-6
Synonyms 4-Nitrothiobenzoic acid S-(cyclohexylthio) ester S-cyclohexylsulfanyl 4-nitrobenzenecarbothioate
Wiley ID 864419