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

*Links on SpectraBase are not permalinks.

2,2,3,3-Tetramethylcyclopenta[C]thiochromene-1,4-quinone

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

2,2,3,3-Tetramethylcyclopenta[C]thiochromene-1,4-quinone
SpectraBase Compound ID DsyZcU7Mgni
InChI InChI=1S/C16H16O2S/c1-15(2)12-11(13(17)16(15,3)4)9-7-5-6-8-10(9)19-14(12)18/h5-8H,1-4H3
InChIKey VCMCYUXAXQLXQW-UHFFFAOYSA-N
Mol Weight 272.36 g/mol
Molecular Formula C16H16O2S
Exact Mass 272.087101 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 CFQc8f5P39y
Name 2,2,3,3-Tetramethylcyclopenta[C]thiochromene-1,4-quinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.087100927 u
Formula C16H16O2S
InChI InChI=1S/C16H16O2S/c1-15(2)12-11(13(17)16(15,3)4)9-7-5-6-8-10(9)19-14(12)18/h5-8H,1-4H3
InChIKey VCMCYUXAXQLXQW-UHFFFAOYSA-N
Molecular Weight 272.362 g/mol
SMILES C1(=O)C=2C3=C(SC(C2C(C1(C)C)(C)C)=O)C=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922652