| SpectraBase Compound ID | 43QsWmnAEMc |
|---|---|
| InChI | InChI=1S/C19H31NO/c1-2-3-4-5-6-12-17-20-19(21)16-11-10-15-18-13-8-7-9-14-18/h7-9,13-14H,2-6,10-12,15-17H2,1H3,(H,20,21) |
| InChIKey | QBZJJFBIXQHCLL-UHFFFAOYSA-N |
| Mol Weight | 289.46 g/mol |
| Molecular Formula | C19H31NO |
| Exact Mass | 289.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 51HMy9XWC8J |
|---|---|
| Name | Valeramide, 5-phenyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.240564621 u |
| Formula | C19H31NO |
| InChI | InChI=1S/C19H31NO/c1-2-3-4-5-6-12-17-20-19(21)16-11-10-15-18-13-8-7-9-14-18/h7-9,13-14H,2-6,10-12,15-17H2,1H3,(H,20,21) |
| InChIKey | QBZJJFBIXQHCLL-UHFFFAOYSA-N |
| Molecular Weight | 289.463 g/mol |
| SMILES | C(=O)(NCCCCCCCC)CCCCC1=CC=CC=C1 |