| SpectraBase Spectrum ID |
4pABbyPLSlT |
| Name |
3-(2',2'-Dipenyl-ethenyl)-bicyclo-[2.2.1]-hepta-2,5-diene-2-carboxylic-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.130679818 u |
| Formula |
C22H18O2 |
| InChI |
InChI=1S/C22H18O2/c23-22(24)21-18-12-11-17(13-18)20(21)14-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,14,17-18H,13H2,(H,23,24)/t17-,18+/m0/s1 |
| InChIKey |
OJEAOSDMJQYZAG-ZWKOTPCHSA-N |
| SMILES |
C(=O)(C1=C(C=C(C=2C=CC=CC2)C2=CC=CC=C2)[C@@]2(C[C@]1(C=C2)[H])[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954715 |
![3-(2',2'-Dipenyl-ethenyl)-bicyclo-[2.2.1]-hepta-2,5-diene-2-carboxylic-acid](/api/spectrum/4pABbyPLSlT/structure.png?h=300&w=458 "3-(2',2'-Dipenyl-ethenyl)-bicyclo-[2.2.1]-hepta-2,5-diene-2-carboxylic-acid")
