| SpectraBase Spectrum ID |
AUmnWqgmo3Z |
| Name |
Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
562.220282666 u |
| Formula |
C32H34O9 |
| InChI |
InChI=1S/C32H34O9/c1-4-9-23(33)13-21-15-25(39-3)17-27(35)30(21)32(38)41-26-16-22(14-24(34)10-5-2)29(28(36)18-26)31(37)40-19-20-11-7-6-8-12-20/h6-8,11-12,15-18,35-36H,4-5,9-10,13-14,19H2,1-3H3 |
| InChIKey |
UGSLLXFYWWOBJY-UHFFFAOYSA-N |
| Molecular Weight |
562.615 g/mol |
| SMILES |
C1(C(OC=2C=C(O)C(=C(C2)CC(=O)CCC)C(OCC=2C=CC=CC2)=O)=O)=C(C=C(C=C1O)OC)CC(=O)CCC |
![Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester](/api/spectrum/AUmnWqgmo3Z/structure.png?h=300&w=458 "Benzoic acid, 2-hydroxy-4-[[2-hydroxy-4-methoxy-6-(2-oxopentyl)benzoyl]oxy]-6-(2-oxopentyl)-, phenylmethyl ester")
