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4-Nitrobenzenecarbothioic acid S-(phenylmethylthio) ester
SpectraBase Compound ID Ie8dIPjoPIl
InChI InChI=1S/C14H11NO3S2/c16-14(12-6-8-13(9-7-12)15(17)18)20-19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey PNOMPNFZTHGKNN-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 4FvbUbDW9lM
Name 4-Nitrobenzenecarbothioic acid S-(phenylmethylthio) ester
Alternate Name(s) 4-Nitrothiobenzoic acid S-(benzylthio) ester S-(phenylmethylsulfanyl) 4-nitrobenzenecarbothioate S-benzylsulfanyl 4-nitrobenzenecarbothioate
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Formula C14H11NO3S2
InChI InChI=1S/C14H11NO3S2/c16-14(12-6-8-13(9-7-12)15(17)18)20-19-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey PNOMPNFZTHGKNN-UHFFFAOYSA-N
Molecular Weight 305.366 g/mol
SMILES c1(N(=O)=O)ccc(C(=O)SSCc2ccccc2)cc1
SPLASH splash10-0udi-2900000000-b4084b586a1eeaf528bd
Source of Spectrum SO-0-1040-6
Wiley ID 864420