| SpectraBase Compound ID | 5zMHK8DJwm1 |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-4-9-14(3)16(18)17(12-5-2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3 |
| InChIKey | NBWHQVHRWUULBZ-UHFFFAOYSA-N |
| Mol Weight | 247.38 g/mol |
| Molecular Formula | C16H25NO |
| Exact Mass | 247.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GnUz0x0VRAY |
|---|---|
| Name | Valeramide, 2-methyl-N-benzyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.193614428 u |
| Formula | C16H25NO |
| InChI | InChI=1S/C16H25NO/c1-4-9-14(3)16(18)17(12-5-2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3 |
| InChIKey | NBWHQVHRWUULBZ-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C(=O)(N(CCC)CC1=CC=CC=C1)C(C)CCC |