| SpectraBase Spectrum ID |
1RW7ZjtrMdz |
| Name |
7-Methyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.087100927 u |
| Formula |
C16H16O2S |
| InChI |
InChI=1S/C16H16O2S/c1-12-7-9-14(10-8-12)19(17,18)16(2)11-13-5-3-4-6-15(13)16/h3-10H,11H2,1-2H3 |
| InChIKey |
NRYNNEWHOBRMNZ-UHFFFAOYSA-N |
| Molecular Weight |
272.362 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)C)(=O)=O)(C2=CC=CC=C2C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955583 |
![7-Methyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/1RW7ZjtrMdz/structure.png?h=300&w=458 "7-Methyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene")
