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

*Links on SpectraBase are not permalinks.

4-Methylthio-chalcone

View entire compound with spectra: 2 NMR, and 1 FTIR

4-Methylthio-chalcone
SpectraBase Compound ID BirZ8w4B08w
InChI InChI=1S/C16H14OS/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey COMMOHWAHKXFGL-FMIVXFBMSA-N
Mol Weight 254.35 g/mol
Molecular Formula C16H14OS
Exact Mass 254.076536 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 BOpeINjXS8e
Name Trans-4-(methylthio)chalcone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.076536244 u
Formula C16H14OS
InChI InChI=1S/C16H14OS/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
InChIKey COMMOHWAHKXFGL-FMIVXFBMSA-N
Molecular Weight 254.347 g/mol
SMILES CSC1=CC=C(C=C1)\C=C\C(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945297