| SpectraBase Spectrum ID |
E6X6gLibZAM |
| Name |
1H-Indene-4,6-dicarboxylic acid, 2,3-dihydro-5,7-dihydroxy-1-oxo-3-phenyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.089602848 u |
| Formula |
C19H16O7 |
| InChI |
InChI=1S/C19H16O7/c1-25-18(23)14-12-10(9-6-4-3-5-7-9)8-11(20)13(12)16(21)15(17(14)22)19(24)26-2/h3-7,10,21-22H,8H2,1-2H3 |
| InChIKey |
QLNYEHUQHKDZQQ-UHFFFAOYSA-N |
| Molecular Weight |
356.330 g/mol |
| SMILES |
C=1(C2=C(C(=O)CC2C2=CC=CC=C2)C(=C(C1O)C(=O)OC)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858182 |
