| SpectraBase Compound ID | ApbjtZG2AIQ |
|---|---|
| InChI | InChI=1S/C14H29NO/c1-4-7-8-9-12-15-14(16)13(10-5-2)11-6-3/h13H,4-12H2,1-3H3,(H,15,16) |
| InChIKey | PQHBRSUVCLWKSM-UHFFFAOYSA-N |
| Mol Weight | 227.39 g/mol |
| Molecular Formula | C14H29NO |
| Exact Mass | 227.224915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LC7qUvz7x8P |
|---|---|
| Name | Valeramide, 2-propyl-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.224914557 u |
| Formula | C14H29NO |
| InChI | InChI=1S/C14H29NO/c1-4-7-8-9-12-15-14(16)13(10-5-2)11-6-3/h13H,4-12H2,1-3H3,(H,15,16) |
| InChIKey | PQHBRSUVCLWKSM-UHFFFAOYSA-N |
| Molecular Weight | 227.392 g/mol |
| SMILES | CCCC(C(NCCCCCC)=O)CCC |