| SpectraBase Spectrum ID |
EAVMj6G7Wab |
| Name |
Benzoic acid, 4-(3-oxo-3-phenyl-1-propenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.094294308 u |
| Formula |
C17H14O3 |
| InChI |
InChI=1S/C17H14O3/c1-20-17(19)15-10-7-13(8-11-15)9-12-16(18)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+ |
| InChIKey |
CADDVOXTZYEXKQ-FMIVXFBMSA-N |
| Molecular Weight |
266.296 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC)=O)\C=C\C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.978757 |
