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

*Links on SpectraBase are not permalinks.

2-Methyl-5-oxidanyl-3-phenyl-7-sulfanyl-chromen-4-one

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

2-Methyl-5-oxidanyl-3-phenyl-7-sulfanyl-chromen-4-one
SpectraBase Compound ID 5EHWcAJGV89
InChI InChI=1S/C16H12O3S/c1-9-14(10-5-3-2-4-6-10)16(18)15-12(17)7-11(20)8-13(15)19-9/h2-8,17,20H,1H3
InChIKey FYTPXBLIADFDDY-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C16H12O3S
Exact Mass 284.050715 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 3pAcLUOgMEA
Name 2-Methyl-5-oxidanyl-3-phenyl-7-sulfanyl-chromen-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.050715417 u
Formula C16H12O3S
InChI InChI=1S/C16H12O3S/c1-9-14(10-5-3-2-4-6-10)16(18)15-12(17)7-11(20)8-13(15)19-9/h2-8,17,20H,1H3
InChIKey FYTPXBLIADFDDY-UHFFFAOYSA-N
SMILES C1(C=2C(=CC(=CC2O)S)OC(=C1C1=CC=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961724