| SpectraBase Compound ID | KBLr9MaWpx4 |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-3-5-7-8-9-10-12(14)13-11-6-4-2/h3-11H2,1-2H3,(H,13,14) |
| InChIKey | YWTVKALTZBSCHL-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JdKxnohSPWA |
|---|---|
| Name | Octanamide, 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/c1-3-5-7-8-9-10-12(14)13-11-6-4-2/h3-11H2,1-2H3,(H,13,14) |
| InChIKey | YWTVKALTZBSCHL-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | C(CCCCCCC)(NCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97471 |