| SpectraBase Spectrum ID |
CZkM01UwsHf |
| Name |
p-Anisic acid, 3-methylbut-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-8H,9H2,1-3H3 |
| InChIKey |
LITKNAAHVCEDPN-UHFFFAOYSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC=C(C)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937994 |
