| SpectraBase Spectrum ID |
9xpDtoNWsq6 |
| Name |
Benzenepropanoic acid, alpha-methyl-beta-phenyl-; propionic acid, 2-methyl-3,3-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.115029753 u |
| Formula |
C16H16O2 |
| InChI |
InChI=1S/C16H16O2/c1-12(16(17)18)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15H,1H3,(H,17,18) |
| InChIKey |
CIQHVMOSBKCPLI-UHFFFAOYSA-N |
| Molecular Weight |
240.302 g/mol |
| SMILES |
OC(C(C(C1=CC=CC=C1)C1=CC=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.935491 |
