| SpectraBase Spectrum ID |
HmFR1e6kKJS |
| Name |
Diethylmalonic acid, 2-octyl tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.417860279 u |
| Formula |
C29H56O4 |
| InChI |
InChI=1S/C29H56O4/c1-6-10-12-14-15-16-17-18-19-20-21-23-25-32-27(30)29(8-3,9-4)28(31)33-26(5)24-22-13-11-7-2/h26H,6-25H2,1-5H3 |
| InChIKey |
FEIGYKRFHKKUQF-UHFFFAOYSA-N |
| Molecular Weight |
468.763 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87428 |
