| SpectraBase Compound ID | EaIiJ80L0xS |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-4-6-7-8-9-13-18-23(22(24)20(3)14-5-2)19-17-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3 |
| InChIKey | QETHYALTNLHBEC-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LM3LDWwbo5C |
|---|---|
| Name | Valeramide, 2-methyl-N-(2-phenylethyl)-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-4-6-7-8-9-13-18-23(22(24)20(3)14-5-2)19-17-21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3 |
| InChIKey | QETHYALTNLHBEC-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CCCCCCCC |