| SpectraBase Spectrum ID |
BpV5qd9P1wk |
| Name |
Diethylmalonic acid, ethyl 3-phenylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-4-18(5-2,16(19)21-6-3)17(20)22-14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3 |
| InChIKey |
POMWAAUAKUJFNG-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
CCC(C(OCC)=O)(C(OCCCC1=CC=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979743 |
