| SpectraBase Spectrum ID |
3SkDfRVX42O |
| Name |
Hexanamide, 3,5,5-trimethyl-N-propyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.303164879 u |
| Formula |
C19H39NO |
| InChI |
InChI=1S/C19H39NO/c1-7-9-10-11-12-14-20(13-8-2)18(21)15-17(3)16-19(4,5)6/h17H,7-16H2,1-6H3 |
| InChIKey |
PECUTFVVWAGWHQ-UHFFFAOYSA-N |
| Molecular Weight |
297.527 g/mol |
| SMILES |
C(C(CC(N(CCCCCCC)CCC)=O)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963096 |
