| SpectraBase Spectrum ID |
3rhGa5R9eB5 |
| Name |
Benzene, 1-methyl-4-[(3-methyl-1,2-butadienyl)sulfonyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.071450863 u |
| Formula |
C12H14O2S |
| InChI |
InChI=1S/C12H14O2S/c1-10(2)8-9-15(13,14)12-6-4-11(3)5-7-12/h4-7,9H,1-3H3 |
| InChIKey |
UXPLHRMKZBTCQO-UHFFFAOYSA-N |
| Molecular Weight |
222.302 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)=C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856969 |
![Benzene, 1-methyl-4-[(3-methyl-1,2-butadienyl)sulfonyl]-](/api/spectrum/3rhGa5R9eB5/structure.png?h=300&w=458 "Benzene, 1-methyl-4-[(3-methyl-1,2-butadienyl)sulfonyl]-")
