| SpectraBase Spectrum ID |
36MNlZ9zdUQ |
| Name |
Hexanamide, 2-bromo-N-(2-pentyl)-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.166727653 u |
| Formula |
C16H32BrNO |
| InChI |
InChI=1S/C16H32BrNO/c1-6-8-10-15(17)16(19)18(12-11-13(3)4)14(5)9-7-2/h13-15H,6-12H2,1-5H3 |
| InChIKey |
HNDGGDIBYHQCLP-UHFFFAOYSA-N |
| Molecular Weight |
334.342 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C(CCCC)Br)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845981 |
