| SpectraBase Spectrum ID |
HTtfX6vosHu |
| Name |
Diethylmalonic acid, heptadecyl 2-hexyl 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/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-33-28(31)30(8-3,9-4)29(32)34-27(5)25-11-7-2/h27H,6-26H2,1-5H3 |
| InChIKey |
BFECJKPYAHECCT-UHFFFAOYSA-N |
| Molecular Weight |
482.790 g/mol |
| SMILES |
C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912231 |
