| SpectraBase Spectrum ID |
CDrcHMorkeo |
| Name |
Diethylmalonic acid, hexadecyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.386560150 u |
| Formula |
C27H52O4 |
| InChI |
InChI=1S/C27H52O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)27(7-2,8-3)26(29)31-23-24(4)5/h24H,6-23H2,1-5H3 |
| InChIKey |
BBIIUNWCCHOALN-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80503 |
