| SpectraBase Spectrum ID |
Hr8AshXLLBx |
| Name |
Hexanamide, 3,5,5-trimethyl-N-(2-pentyl)-N-(2-ethylhexyl)- |
| 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/c1-9-12-14-20(11-3)17-23(19(5)13-10-2)21(24)15-18(4)16-22(6,7)8/h18-20H,9-17H2,1-8H3 |
| InChIKey |
SRSFFAWRAXFURJ-UHFFFAOYSA-N |
| Molecular Weight |
339.608 g/mol |
| SMILES |
C(N(CC(CCCC)CC)C(CCC)C)(=O)CC(C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924349 |
