| SpectraBase Spectrum ID |
JFuYPMqzRV3 |
| Name |
3-(2,6-Dimethoxyphenyl)propanoic acid 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/c1-14-10-5-4-6-11(15-2)9(10)7-8-12(13)16-3/h4-6H,7-8H2,1-3H3 |
| InChIKey |
BHQQXFSOZMZDDU-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C=1(CCC(=O)OC)C(OC)=CC=CC1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904447 |
