| SpectraBase Spectrum ID |
74CF5nJQFLs |
| Name |
7-Benzyl-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 |
348.118401056 u |
| Formula |
C22H20O2S |
| InChI |
InChI=1S/C22H20O2S/c1-17-11-13-20(14-12-17)25(23,24)22(15-18-7-3-2-4-8-18)16-19-9-5-6-10-21(19)22/h2-14H,15-16H2,1H3 |
| InChIKey |
HZULCQWMNVETBX-UHFFFAOYSA-N |
| Molecular Weight |
348.460 g/mol |
| SMILES |
C1(S(C2=CC=C(C=C2)C)(=O)=O)(C2=CC=CC=C2C1)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968859 |
![7-Benzyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene](/api/spectrum/74CF5nJQFLs/structure.png?h=300&w=458 "7-Benzyl-7-(p-tolylsulfonyl)bicyclo[4.2.0]octa-1,3,5-triene")
