SpectraBase Spectrum ID |
4RysybBntn3 |
Name |
N-Dodecyl .beta.-styryl sulfide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.222472204 u |
Formula |
C20H32S |
InChI |
InChI=1S/C20H32S/c1-2-3-4-5-6-7-8-9-10-14-18-21-19-17-20-15-12-11-13-16-20/h11-13,15-17,19H,2-10,14,18H2,1H3/b19-17+ |
InChIKey |
HUASCDYETGYOKI-HTXNQAPBSA-N |
SMILES |
C1(\C=C\SCCCCCCCCCCCC)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873451 |