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4-Nitrobenzenecarbothioic acid S-(phenylthio) ester
SpectraBase Compound ID KgOFnLHX37d
InChI InChI=1S/C13H9NO3S2/c15-13(19-18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H
InChIKey CMXCPRDCKUPYBR-UHFFFAOYSA-N
Mol Weight 291.34 g/mol
Molecular Formula C13H9NO3S2
Exact Mass 291.002385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Epb6OewgQJk
Name 4-Nitrobenzenecarbothioic acid S-(phenylthio) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO3S2
InChI InChI=1S/C13H9NO3S2/c15-13(19-18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H
InChIKey CMXCPRDCKUPYBR-UHFFFAOYSA-N
Molecular Weight 291.339 g/mol
SMILES c1(N(=O)=O)ccc(C(SSc2ccccc2)=O)cc1
SPLASH splash10-0udi-0900000000-cd66f5d088a6c90f3b0d
Source of Spectrum SO-0-1040-6
Synonyms 4-Nitrothiobenzoic acid S-(phenylthio) ester S-phenylsulfanyl 4-nitrobenzenecarbothioate
Wiley ID 864418