For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4FvbUbDW9lM
Name 4-Nitrobenzenecarbothioic acid S-(phenylmethylthio) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Synonyms 4-Nitrothiobenzoic acid S-(benzylthio) ester S-(phenylmethylsulfanyl) 4-nitrobenzenecarbothioate S-benzylsulfanyl 4-nitrobenzenecarbothioate
Wiley ID 864420