| SpectraBase Spectrum ID |
CoQBFWC6UB9 |
| Name |
Dimethylmalonic acid, hexadecyl 3-methylbutyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-24(27)26(4,5)25(28)30-22-20-23(2)3/h23H,6-22H2,1-5H3 |
| InChIKey |
MNLFBARZJOIPRY-UHFFFAOYSA-N |
| Molecular Weight |
426.682 g/mol |
| SMILES |
CC(CCOC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870608 |
