| SpectraBase Spectrum ID |
BAi37LscXtg |
| Name |
Hydroxy-[4-(hydroxymethoxycarbonylphenylmethyl)-5-oxocyclopent-1-enyl)phenylacetic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.136553041 u |
| Formula |
C23H22O7 |
| InChI |
InChI=1S/C23H22O7/c1-29-20(25)22(27,15-9-5-3-6-10-15)17-13-14-18(19(17)24)23(28,21(26)30-2)16-11-7-4-8-12-16/h3-13,18,27-28H,14H2,1-2H3 |
| InChIKey |
UEXHPUHXGQWANO-UHFFFAOYSA-N |
| Molecular Weight |
410.422 g/mol |
| SMILES |
C=1(C(C(C(C(=O)OC)(C2=CC=CC=C2)O)CC1)=O)C(C(=O)OC)(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904576 |
