| SpectraBase Spectrum ID |
23a4PUJd3W8 |
| Name |
22-Methyl-tetracosanoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.444015458 u |
| Formula |
C29H57NO |
| InChI |
InChI=1S/C29H57NO/c1-5-27(2)24-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-25-28-30-29(3,4)26-31-28/h27H,5-26H2,1-4H3 |
| InChIKey |
IDIVVCSLJZBDDQ-UHFFFAOYSA-N |
| Molecular Weight |
435.781 g/mol |
| SMILES |
C=1(OCC(N1)(C)C)CCCCCCCCCCCCCCCCCCCCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880001 |
