| SpectraBase Spectrum ID |
IT3kzY5OpFi |
| Name |
Diethylmalonic acid, 3-ethylphenyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.417860279 u |
| Formula |
C33H56O4 |
| InChI |
InChI=1S/C33H56O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-36-31(34)33(7-3,8-4)32(35)37-30-26-24-25-29(6-2)28-30/h24-26,28H,5-23,27H2,1-4H3 |
| InChIKey |
VFIBJIZQXWJLDV-UHFFFAOYSA-N |
| Molecular Weight |
516.807 g/mol |
| SMILES |
CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCCCCCCCC)=O)(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837544 |
