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

*Links on SpectraBase are not permalinks.

2-Methyl-3-phenyl-3-(phenylthio)-2-propenal

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

2-Methyl-3-phenyl-3-(phenylthio)-2-propenal
SpectraBase Compound ID 56rLpjWK5s3
InChI InChI=1S/C16H14OS/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-13+
InChIKey ARDUYKLNPPOQIJ-DTQAZKPQSA-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 Io3pEf7dYPM
Name 2-Methyl-3-phenyl-3-(phenylthio)-2-propenal
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/c1-13(12-17)16(14-8-4-2-5-9-14)18-15-10-6-3-7-11-15/h2-12H,1H3/b16-13+
InChIKey ARDUYKLNPPOQIJ-DTQAZKPQSA-N
Molecular Weight 254.347 g/mol
SMILES C(\C(=C/(SC1=CC=CC=C1)C1=CC=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880866