| SpectraBase Spectrum ID |
BdDwdKFGIzJ |
| Name |
18-Methyl-eicosanoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.381415201 u |
| Formula |
C25H49NO |
| InChI |
InChI=1S/C25H49NO/c1-5-23(2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-24-26-25(3,4)22-27-24/h23H,5-22H2,1-4H3 |
| InChIKey |
COBDULXJENHDGU-UHFFFAOYSA-N |
| Molecular Weight |
379.673 g/mol |
| SMILES |
C(CC)(CCCCCCCCCCCCCCCCC=1OCC(N1)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884642 |
