| SpectraBase Spectrum ID |
159IvnOHedr |
| Name |
Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.163161711 u |
| Formula |
C25H28O11 |
| InChI |
InChI=1S/C25H28O11/c1-14(26)33-13-23(36-20-10-8-18(25(29)32-6)12-22(20)31-5)24(35-16(3)28)17-7-9-19(34-15(2)27)21(11-17)30-4/h7-12,23-24H,13H2,1-6H3 |
| InChIKey |
SAIHQTSXCMHQTF-UHFFFAOYSA-N |
| Molecular Weight |
504.488 g/mol |
| SMILES |
C(C)(=O)OC1=CC=C(C(C(OC=2C(OC)=CC(=CC2)C(OC)=O)COC(C)=O)OC(=O)C)C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95247 |
![Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, triacetate](/api/spectrum/159IvnOHedr/structure.png?h=300&w=458 "Benzoic acid, 4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3-methoxy-, methyl ester, triacetate")
