| SpectraBase Compound ID | JhAMcALWdFy |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-5-7-9-13(8-6-2)12(14)10-11(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | ZABYVZDTNZTDEO-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ehtXpTuOm9 |
|---|---|
| Name | Isovaleramide, N-propyl-N-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.193614428 u |
| Formula | C12H25NO |
| InChI | InChI=1S/C12H25NO/c1-5-7-9-13(8-6-2)12(14)10-11(3)4/h11H,5-10H2,1-4H3 |
| InChIKey | ZABYVZDTNZTDEO-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(N(CCC)CCCC)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959796 |