| SpectraBase Spectrum ID |
9O0hEhIrq69 |
| Name |
but-2-Enoylamide, 3-methyl-N-(2-pentyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.240564621 u |
| Formula |
C16H31NO |
| InChI |
InChI=1S/C16H31NO/c1-6-8-9-10-12-17(15(5)11-7-2)16(18)13-14(3)4/h13,15H,6-12H2,1-5H3 |
| InChIKey |
GHDLDOXQTJPIJG-UHFFFAOYSA-N |
| Molecular Weight |
253.430 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C=C(C)C)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917915 |
