| SpectraBase Spectrum ID |
9W5hwzyDMYn |
| Name |
Diethylmalonic acid, 4-acetylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.146723803 u |
| Formula |
C17H22O5 |
| InChI |
InChI=1S/C17H22O5/c1-5-17(6-2,15(19)21-7-3)16(20)22-14-10-8-13(9-11-14)12(4)18/h8-11H,5-7H2,1-4H3 |
| InChIKey |
GRNIXVZNIVYKBO-UHFFFAOYSA-N |
| Molecular Weight |
306.358 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OC1=CC=C(C(C)=O)C=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980459 |
