| SpectraBase Spectrum ID |
1qf4VKELFh8 |
| Name |
Malonic acid, 3,3-dimethylbut-2-yl octadecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30-25(28)23-26(29)31-24(2)27(3,4)5/h24H,6-23H2,1-5H3 |
| InChIKey |
YWQGXPBAPDTJPN-UHFFFAOYSA-N |
| Molecular Weight |
440.709 g/mol |
| SMILES |
C(CC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824175 |
