| SpectraBase Spectrum ID |
HQPhzSrLUfV |
| Name |
Valeramide, 2-methyl-N-(2-butyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.350115072 u |
| Formula |
C22H45NO |
| InChI |
InChI=1S/C22H45NO/c1-6-9-10-11-12-13-14-15-16-17-19-23(21(5)8-3)22(24)20(4)18-7-2/h20-21H,6-19H2,1-5H3 |
| InChIKey |
KSHKIAOYEGTRQD-UHFFFAOYSA-N |
| Molecular Weight |
339.608 g/mol |
| SMILES |
C(N(CCCCCCCCCCCC)C(CC)C)(=O)C(C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94366 |
