| SpectraBase Compound ID | HVCTW9yNGxn |
|---|---|
| InChI | InChI=1S/C13H27NO/c1-4-6-8-10-12(3)14-13(15)11-9-7-5-2/h12H,4-11H2,1-3H3,(H,14,15) |
| InChIKey | HYBBKKGHHJPZJO-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 | 2Tf7XMAuKng |
|---|---|
| Name | Hexanamide, N-hept-2-yl- |
| 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/c1-4-6-8-10-12(3)14-13(15)11-9-7-5-2/h12H,4-11H2,1-3H3,(H,14,15) |
| InChIKey | HYBBKKGHHJPZJO-UHFFFAOYSA-N |
| Molecular Weight | 213.365 g/mol |
| SMILES | C(CCCCC)(NC(CCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944724 |