| SpectraBase Spectrum ID |
JZNBRZeaQda |
| Name |
Benzoic acid, 4-methoxy-2-[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.167853170 u |
| Formula |
C26H26O7 |
| InChI |
InChI=1S/C26H26O7/c1-16-11-19(29-3)13-22(24(16)26(28)32-15-18-9-7-6-8-10-18)33-20-12-17(2)23(25(27)31-5)21(14-20)30-4/h6-14H,15H2,1-5H3 |
| InChIKey |
QMDBRPJOOFYXPL-UHFFFAOYSA-N |
| Molecular Weight |
450.487 g/mol |
| SMILES |
C=1(C(OC=2C=C(OC)C(=C(C2)C)C(=O)OC)=CC(=CC1C)OC)C(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947167 |
![Benzoic acid, 4-methoxy-2-[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester](/api/spectrum/JZNBRZeaQda/structure.png?h=300&w=458 "Benzoic acid, 4-methoxy-2-[3-methoxy-4-(methoxycarbonyl)-5-methylphenoxy]-6-methyl-, phenylmethyl ester")
