| SpectraBase Spectrum ID |
8T7agDkeAp2 |
| Name |
1-Methyl-4-(1-phenylsulfanylethenylsulfonyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.043522037 u |
| Formula |
C15H14O2S2 |
| InChI |
InChI=1S/C15H14O2S2/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+ |
| InChIKey |
ATZQCVPKFGPQET-VAWYXSNFSA-N |
| Molecular Weight |
290.395 g/mol |
| SMILES |
C1(S\C=C\S(C=2C=CC(C)=CC2)(=O)=O)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890953 |
