| SpectraBase Compound ID | DjO0ATvALEh |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-3-5-11-16(18)17(13-4-2)14-12-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3 |
| InChIKey | HTMQCXZFISELLZ-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 | GqDvcMnLT1y |
|---|---|
| Name | Valeramide, N-(2-phenylethyl)-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/c1-3-5-11-16(18)17(13-4-2)14-12-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3 |
| InChIKey | HTMQCXZFISELLZ-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C1=C(C=CC=C1)CCN(C(=O)CCCC)CCC |