| SpectraBase Spectrum ID |
6kfeXYT3qNN |
| Name |
Isovaleramide, N-(2-butyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.334465008 u |
| Formula |
C21H43NO |
| InChI |
InChI=1S/C21H43NO/c1-6-8-9-10-11-12-13-14-15-16-17-22(20(5)7-2)21(23)18-19(3)4/h19-20H,6-18H2,1-5H3 |
| InChIKey |
MMCIDPIXEWJORK-UHFFFAOYSA-N |
| Molecular Weight |
325.581 g/mol |
| SMILES |
C(N(CCCCCCCCCCCC)C(CC)C)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921032 |
