| SpectraBase Spectrum ID |
JkhzYLUiEtN |
| Name |
Benzenepropanoic acid, 2,3-dimethoxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.104858991 u |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-14-10-6-4-5-9(12(10)16-3)7-8-11(13)15-2/h4-6H,7-8H2,1-3H3 |
| InChIKey |
RHAIIOHVHKOIFR-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C=1(C(CCC(=O)OC)=CC=CC1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937601 |
