SpectraBase Spectrum ID |
FMV1b8e11cG |
Name |
Methyl 2,4-dimethyl-tricosanoate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
396.396730912 u |
Formula |
C26H52O2 |
InChI |
InChI=1S/C26H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)23-25(3)26(27)28-4/h24-25H,5-23H2,1-4H3 |
InChIKey |
RJWYFNAFPDFNMU-UHFFFAOYSA-N |
Molecular Weight |
396.700 g/mol |
SMILES |
C(C(CC(CCCCCCCCCCCCCCCCCCC)C)C)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945889 |