| SpectraBase Spectrum ID |
Cb8BzdS3uXD |
| Name |
1,2-Diphenyl-cyclopropene-3-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913576 |
