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

*Links on SpectraBase are not permalinks.

1,1,3-Tris(phenylthio)-1-propene

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

1,1,3-Tris(phenylthio)-1-propene
SpectraBase Compound ID IuAftLgkaxf
InChI InChI=1S/C21H18S3/c1-4-10-18(11-5-1)22-17-16-21(23-19-12-6-2-7-13-19)24-20-14-8-3-9-15-20/h1-16H,17H2
InChIKey XBMCYJDHTDKVJI-UHFFFAOYSA-N
Mol Weight 366.56 g/mol
Molecular Formula C21H18S3
Exact Mass 366.057064 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 9qQqWjP42GY
Name 1,1,3-Tris(phenylthio)-1-propene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.057064102 u
Formula C21H18S3
InChI InChI=1S/C21H18S3/c1-4-10-18(11-5-1)22-17-16-21(23-19-12-6-2-7-13-19)24-20-14-8-3-9-15-20/h1-16H,17H2
InChIKey XBMCYJDHTDKVJI-UHFFFAOYSA-N
Molecular Weight 366.555 g/mol
SMILES C1(=CC=CC=C1)SC(=CCSC1=CC=CC=C1)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.991004