| SpectraBase Spectrum ID |
xVZCbCqGiy |
| Name |
p-Tolyl 1-o-tolyl-1-pentenyl sulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.134051120 u |
| Formula |
C19H22O2S |
| InChI |
InChI=1S/C19H22O2S/c1-4-5-10-19(18-9-7-6-8-16(18)3)22(20,21)17-13-11-15(2)12-14-17/h6-14H,4-5H2,1-3H3/b19-10- |
| InChIKey |
LMOJAJSFGNDFJU-GRSHGNNSSA-N |
| Molecular Weight |
314.443 g/mol |
| SMILES |
C=1(\C(S(C=2C=CC(=CC2)C)(=O)=O)=C\CCC)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812328 |
