| SpectraBase Spectrum ID |
1tTMn5Q5NYN |
| Name |
Diethylmalonic acid, 4-acetylphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.162373868 u |
| Formula |
C18H24O5 |
| InChI |
InChI=1S/C18H24O5/c1-5-12-22-16(20)18(6-2,7-3)17(21)23-15-10-8-14(9-11-15)13(4)19/h8-11H,5-7,12H2,1-4H3 |
| InChIKey |
FAHSBXLYNCZBJJ-UHFFFAOYSA-N |
| Molecular Weight |
320.385 g/mol |
| SMILES |
CCC(C(OCCC)=O)(C(OC1=CC=C(C(C)=O)C=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976232 |
