![2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid](/api/spectrum/FQs1AZSaJlC/structure.png?h=300&w=458 "2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid")
| SpectraBase Compound ID | CJHIUgXzG3E |
|---|---|
| InChI | InChI=1S/C14H12O2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,16) |
| InChIKey | SHTRRRPUFZBTEY-UHFFFAOYSA-N |
| Mol Weight | 212.25 g/mol |
| Molecular Formula | C14H12O2 |
| Exact Mass | 212.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FQs1AZSaJlC |
|---|---|
| Name | 2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.083729624 u |
| Formula | C14H12O2 |
| InChI | InChI=1S/C14H12O2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,16) |
| InChIKey | SHTRRRPUFZBTEY-UHFFFAOYSA-N |
| Molecular Weight | 212.248 g/mol |
| SMILES | C1(=C(C2CC1C=C2)C=1C=CC=CC1)C(=O)O |