| SpectraBase Spectrum ID |
3WtrZat4ZPp |
| Name |
Diethylmalonic acid, 2-ethylphenyl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
488.386560150 u |
| Formula |
C31H52O4 |
| InChI |
InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)31(7-3,8-4)30(33)35-28-25-22-21-24-27(28)6-2/h21-22,24-25H,5-20,23,26H2,1-4H3 |
| InChIKey |
DBLDRRHEQBZXGH-UHFFFAOYSA-N |
| Molecular Weight |
488.753 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840767 |
