| SpectraBase Compound ID | 3QX4rtTLxsw |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-4-5-6-7-8-9-13(15)14-11-10-12(2)3/h12H,4-11H2,1-3H3,(H,14,15) |
| InChIKey | REQCSZJUXVVNII-UHFFFAOYSA-N |
| Mol Weight | 213.36 g/mol |
| Molecular Formula | C13H27NO |
| Exact Mass | 213.209264 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9AahUDX9aMX |
|---|---|
| Name | Octanamide, N-3-methylbutyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.209264492 u |
| Formula | C13H27NO |
| InChI | InChI=1S/C13H27NO/c1-4-5-6-7-8-9-13(15)14-11-10-12(2)3/h12H,4-11H2,1-3H3,(H,14,15) |
| InChIKey | REQCSZJUXVVNII-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | C(CCCCCCC)(NCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967873 |