| SpectraBase Spectrum ID |
LHDNifbw62T |
| Name |
Malonic acid, 2,4-dimethylpent-3-yl hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.370910086 u |
| Formula |
C26H50O4 |
| InChI |
InChI=1S/C26H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24(27)21-25(28)30-26(22(2)3)23(4)5/h22-23,26H,6-21H2,1-5H3 |
| InChIKey |
HSPWZRONUVAKEI-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
C(C(OC(C(C)C)C(C)C)=O)C(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820859 |
