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4-Nitrothiobenzoic acid S-(p-tolylthio) ester
SpectraBase Compound ID 7iwleF6p7On
InChI InChI=1S/C14H11NO3S2/c1-10-2-8-13(9-3-10)19-20-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3
InChIKey IKXIOIIELYNVDC-UHFFFAOYSA-N
Mol Weight 305.37 g/mol
Molecular Formula C14H11NO3S2
Exact Mass 305.018036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgaekKytq7s
Name 4-Nitrothiobenzoic acid S-(p-tolylthio) ester
Alternate Name(s) S-(4-methylphenyl)sulfanyl 4-nitrobenzenecarbothioate S-(p-tolylsulfanyl) 4-nitrobenzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NO3S2
InChI InChI=1S/C14H11NO3S2/c1-10-2-8-13(9-3-10)19-20-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3
InChIKey IKXIOIIELYNVDC-UHFFFAOYSA-N
Molecular Weight 305.366 g/mol
SMILES c1(N(=O)=O)ccc(C(SSc2ccc(cc2)C)=O)cc1
SPLASH splash10-0uk9-1921000000-4547fdffd9646031c5c3
Source of Spectrum SO-0-1040-6
Wiley ID 864417