| SpectraBase Spectrum ID |
2swzzVPnpqt |
| Name |
Benzoic acid, 4-methoxy-3,5-bis[4-(methoxycarbonyl)phenoxy]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.126382279 u |
| Formula |
C25H22O9 |
| InChI |
InChI=1S/C25H22O9/c1-29-22-20(33-18-9-5-15(6-10-18)23(26)30-2)13-17(25(28)32-4)14-21(22)34-19-11-7-16(8-12-19)24(27)31-3/h5-14H,1-4H3 |
| InChIKey |
UPUMEOADMGAXTK-UHFFFAOYSA-N |
| Molecular Weight |
466.442 g/mol |
| SMILES |
C=1(C(=C(OC2=CC=C(C(=O)OC)C=C2)C=C(C1)C(=O)OC)OC)OC=1C=CC(C(=O)OC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885811 |
![Benzoic acid, 4-methoxy-3,5-bis[4-(methoxycarbonyl)phenoxy]-, methyl ester](/api/spectrum/2swzzVPnpqt/structure.png?h=300&w=458 "Benzoic acid, 4-methoxy-3,5-bis[4-(methoxycarbonyl)phenoxy]-, methyl ester")
