| SpectraBase Spectrum ID |
JFh4LCLxiEY |
| Name |
Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.178417854 u |
| Formula |
C22H28O8 |
| InChI |
InChI=1S/C22H28O8/c1-24-13-20(21(28-5)14-7-9-16(25-2)18(11-14)26-3)30-17-10-8-15(22(23)29-6)12-19(17)27-4/h7-12,20-21H,13H2,1-6H3 |
| InChIKey |
RIEHBHNXXMCMRU-UHFFFAOYSA-N |
| Molecular Weight |
420.458 g/mol |
| SMILES |
COC1=CC=C(C(C(OC=2C(OC)=CC(=CC2)C(OC)=O)COC)OC)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965381 |
![Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether](/api/spectrum/JFh4LCLxiEY/structure.png?h=300&w=458 "Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, trimethyl ether")
