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

*Links on SpectraBase are not permalinks.
Methyl 4-(3-thioxo-3H-1,2-dithiol-4-yl)benzoate
SpectraBase Compound ID KtO2yd8js94
InChI InChI=1S/C11H8O2S3/c1-13-10(12)8-4-2-7(3-5-8)9-6-15-16-11(9)14/h2-6H,1H3
InChIKey SICBTUNFYJQLEN-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C11H8O2S3
Exact Mass 267.968643 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 1HR4fH57WB
Name Methyl 4-(3-thioxo-3H-1,2-dithiol-4-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8O2S3
InChI InChI=1S/C11H8O2S3/c1-13-10(12)8-4-2-7(3-5-8)9-6-15-16-11(9)14/h2-6H,1H3
InChIKey SICBTUNFYJQLEN-UHFFFAOYSA-N
Molecular Weight 268.363 g/mol
SMILES C=1(C(SSC1)=S)c1ccc(C(=O)OC)cc1
SPLASH splash10-014i-0090000000-78ceb7c80aab844b4b5f
Source of Spectrum AC-132-629-2
Synonyms 4-(3-Sulfanylidene-4-dithiolyl)benzoic acid methyl ester Methyl 4-(3-sulfanylidenedithiol-4-yl)benzoate Methyl 4-(3-thioxodithiol-4-yl)benzoate Methyl 4-(3-sulfanylidene-1,2-dithiol-4-yl)benzoate
Wiley ID 811908