| SpectraBase Spectrum ID |
E3lH6l9gQhr |
| Name |
Propanedioic acid, (2-oxo-2-phenylethyl)-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c1-3-19-14(17)12(15(18)20-4-2)10-13(16)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey |
VSNITFFVTRYICI-UHFFFAOYSA-N |
| SMILES |
C(CC(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972669 |
