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

*Links on SpectraBase are not permalinks.

2-Methoxy-5-(methylthio)-3-(phenylthio)-1,4-benzoquinone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Methoxy-5-(methylthio)-3-(phenylthio)-1,4-benzoquinone
SpectraBase Compound ID LsNtR4mPRDq
InChI InChI=1S/C14H12O3S2/c1-17-13-10(15)8-11(18-2)12(16)14(13)19-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey SUWRPTDGOQOZIB-UHFFFAOYSA-N
Mol Weight 292.37 g/mol
Molecular Formula C14H12O3S2
Exact Mass 292.022787 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BS6kIdlGrkC
Name 2-Methoxy-5-(methylthio)-3-(phenylthio)-1,4-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.022786591 u
Formula C14H12O3S2
InChI InChI=1S/C14H12O3S2/c1-17-13-10(15)8-11(18-2)12(16)14(13)19-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey SUWRPTDGOQOZIB-UHFFFAOYSA-N
SMILES C1(=C(C(=O)C=C(C1=O)SC)OC)SC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949302