| SpectraBase Spectrum ID |
1jxZvfnV7Wj |
| Name |
Ethyl ester of 3-(3,4-dimethoxyphenyl)-2(4-formyl-2-(hydroxy)phenoxy)-3-hydroxypropionic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.131467660 u |
| Formula |
C20H22O8 |
| InChI |
InChI=1S/C20H22O8/c1-4-27-20(24)19(28-15-7-5-12(11-21)9-14(15)22)18(23)13-6-8-16(25-2)17(10-13)26-3/h5-11,18-19,22-23H,4H2,1-3H3 |
| InChIKey |
QGLOAHMZKHXSFF-UHFFFAOYSA-N |
| Molecular Weight |
390.388 g/mol |
| SMILES |
C(OC=1C(=CC(=CC1)C=O)O)(C(C=1C=C(OC)C(=CC1)OC)O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967722 |
