| SpectraBase Spectrum ID |
1uyKKQtjnoh |
| Name |
Methyl 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-5-oxofuran-2-carboxylate, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.126382279 u |
| Formula |
C24H22O9 |
| InChI |
InChI=1S/C24H22O9/c1-14(25)31-18-9-5-16(6-10-18)13-24(23(28)30-4)20(21(29-3)22(27)33-24)17-7-11-19(12-8-17)32-15(2)26/h5-12H,13H2,1-4H3 |
| InChIKey |
AJMWZHNJYCXVLF-UHFFFAOYSA-N |
| Molecular Weight |
454.431 g/mol |
| SMILES |
CC(=O)OC=1C=CC(=CC1)C1=C(OC)C(=O)OC1(CC1=CC=C(OC(C)=O)C=C1)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952857 |
![Methyl 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-5-oxofuran-2-carboxylate, 2ac derivative](/api/spectrum/1uyKKQtjnoh/structure.png?h=300&w=458 "Methyl 3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-methoxy-5-oxofuran-2-carboxylate, 2ac derivative")
