| SpectraBase Spectrum ID |
B7la1ICWUKX |
| Name |
Diethylmalonic acid, 3-ethylphenyl heptadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.402210215 u |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-35-30(33)32(7-3,8-4)31(34)36-29-25-23-24-28(6-2)27-29/h23-25,27H,5-22,26H2,1-4H3 |
| InChIKey |
WFVXMQCEMGZLDU-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)=O |
