| SpectraBase Spectrum ID |
B1I2N1SaOaG |
| Name |
4-(3-Carbomethoxybut-3-enyl)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-10(13(15)17-2)4-5-11-6-8-12(9-7-11)14(16)18-3/h6-9H,1,4-5H2,2-3H3 |
| InChIKey |
AOYCLUYGPYBIQF-UHFFFAOYSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C(C=1C=CC(=CC1)CCC(=C)C(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944502 |
