| SpectraBase Compound ID | 3Lm9leqTY4J |
|---|---|
| InChI | InChI=1S/C16H12O2/c17-16(18)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H,17,18) |
| InChIKey | LRFRUFJNOGIAFA-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 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 | 8gy0Rqi1Efp |
|---|---|
| Name | 1,2-Diphenyl-cyclopropene-3-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.083729624 u |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c17-16(18)15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10,15H,(H,17,18) |
| InChIKey | LRFRUFJNOGIAFA-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C1=C(C=CC=C1)C=1C(C(O)=O)C1C1=CC=CC=C1 |