| SpectraBase Spectrum ID |
CQHOn40K3sx |
| Name |
Heneicosanoic acid, 2,5-dimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.365430784 u |
| Formula |
C24H48O2 |
| InChI |
InChI=1S/C24H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-23(3)24(25)26-4/h22-23H,5-21H2,1-4H3 |
| InChIKey |
ILXLVLNZPNSAMT-UHFFFAOYSA-N |
| Molecular Weight |
368.646 g/mol |
| SMILES |
C(CCC(C(OC)=O)C)(CCCCCCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909347 |
