| SpectraBase Spectrum ID |
8wwIYODMqe4 |
| Name |
Diethylmalonic acid, hept-4-yl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.433510344 u |
| Formula |
C30H58O4 |
| InChI |
InChI=1S/C30H58O4/c1-6-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-28(31)30(9-4,10-5)29(32)34-27(24-7-2)25-8-3/h27H,6-26H2,1-5H3 |
| InChIKey |
KHRCREPAWHBALE-UHFFFAOYSA-N |
| Molecular Weight |
482.790 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906409 |
