| SpectraBase Spectrum ID |
Di18X8xSaXK |
| Name |
2-Benzofurancarboxylic acid, 2,3-dihydro-3-hydroxy-2-phenyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.104858991 u |
| Formula |
C17H16O4 |
| InChI |
InChI=1S/C17H16O4/c1-2-20-16(19)17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)21-17/h3-11,15,18H,2H2,1H3 |
| InChIKey |
DPYPEDITFWMWBE-UHFFFAOYSA-N |
| SMILES |
C1=CC=CC2=C1OC(C2O)(C1=CC=CC=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885577 |
