| SpectraBase Spectrum ID |
777ZCweYOpU |
| Name |
Isovaleramide, 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 |
241.240564621 u |
| Formula |
C15H31NO |
| InChI |
InChI=1S/C15H31NO/c1-7-8-14(6)16(10-9-12(2)3)15(17)11-13(4)5/h12-14H,7-11H2,1-6H3 |
| InChIKey |
PGNCNOTWKDXDHK-UHFFFAOYSA-N |
| Molecular Weight |
241.419 g/mol |
| SMILES |
C(N(CCC(C)C)C(CCC)C)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944378 |
