| SpectraBase Spectrum ID |
EdmXVThjdxq |
| Name |
(3-Oxidanylidene-1H-2-benzofuran-1-yl) 2-phenylethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.073558862 u |
| Formula |
C16H12O4 |
| InChI |
InChI=1S/C16H12O4/c17-14(10-11-6-2-1-3-7-11)19-16-13-9-5-4-8-12(13)15(18)20-16/h1-9,16H,10H2 |
| InChIKey |
RILOLIXJAABMDV-UHFFFAOYSA-N |
| SMILES |
C1(OC(C=2C=CC=CC12)=O)OC(=O)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96113 |
