| SpectraBase Spectrum ID |
3hBax5PC9IM |
| Name |
Diethylmalonic acid, ethyl 3-ethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-5-13-10-9-11-14(12-13)21-16(19)17(6-2,7-3)15(18)20-8-4/h9-12H,5-8H2,1-4H3 |
| InChIKey |
SGPPDCHWYGDGOW-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCC)=O)(C(OC1=CC(CC)=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926669 |
