| SpectraBase Compound ID | BRb0X4pLqC5 |
|---|---|
| InChI | InChI=1S/C14H29NO/c1-5-7-8-9-11-15(10-6-2)14(16)12-13(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | DXBBOBOWBJAAPC-UHFFFAOYSA-N |
| Mol Weight | 227.39 g/mol |
| Molecular Formula | C14H29NO |
| Exact Mass | 227.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DW6KLOeYbqy |
|---|---|
| Name | Isovaleramide, N-propyl-N-hexyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.224914557 u |
| Formula | C14H29NO |
| InChI | InChI=1S/C14H29NO/c1-5-7-8-9-11-15(10-6-2)14(16)12-13(3)4/h13H,5-12H2,1-4H3 |
| InChIKey | DXBBOBOWBJAAPC-UHFFFAOYSA-N |
| Molecular Weight | 227.392 g/mol |
| SMILES | C(N(CCC)CCCCCC)(=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877188 |