| SpectraBase Spectrum ID |
DtMLRPcObyV |
| Name |
Hexanamide, 3,5,5-trimethyl-N-benzyl-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.271864750 u |
| Formula |
C21H35NO |
| InChI |
InChI=1S/C21H35NO/c1-17(2)12-13-22(16-19-10-8-7-9-11-19)20(23)14-18(3)15-21(4,5)6/h7-11,17-18H,12-16H2,1-6H3 |
| InChIKey |
PIPWMIGSSOYQEN-UHFFFAOYSA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C(N(CCC(C)C)CC1=CC=CC=C1)(=O)CC(C)CC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911825 |
