| SpectraBase Spectrum ID |
GKWbMrrlVvW |
| Name |
Diethylmalonic acid, isobutyl 1-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-6-17(16-12-10-9-11-13-16)24-19(22)20(7-2,8-3)18(21)23-14-15(4)5/h9-13,15,17H,6-8,14H2,1-5H3 |
| InChIKey |
YCXQBYYQZWQADK-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C(C(C(OCC(C)C)=O)(C(OC(C1=CC=CC=C1)CC)=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971377 |
