| SpectraBase Compound ID | KbcdWZ446CK |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-4-12-17(13-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3 |
| InChIKey | YVNRNZQSUVFOPG-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 | DQoZ0fAVeGV |
|---|---|
| Name | Propionamide, 3-phenyl-N-propyl-N-isobutyl- |
| 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/c1-4-12-17(13-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3 |
| InChIKey | YVNRNZQSUVFOPG-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C(=O)(N(CCC)CC(C)C)CCC=1C=CC=CC1 |