| SpectraBase Compound ID | FKoqhA5SCXS |
|---|---|
| InChI | InChI=1S/C20H33NO/c1-3-5-7-8-12-17-21(20(22)15-6-4-2)18-16-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3 |
| InChIKey | YBAJNEACXNWLTN-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C20H33NO |
| Exact Mass | 303.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IchZAkPpkSp |
|---|---|
| Name | Valeramide, N-(2-phenylethyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.256214686 u |
| Formula | C20H33NO |
| InChI | InChI=1S/C20H33NO/c1-3-5-7-8-12-17-21(20(22)15-6-4-2)18-16-19-13-10-9-11-14-19/h9-11,13-14H,3-8,12,15-18H2,1-2H3 |
| InChIKey | YBAJNEACXNWLTN-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)CCN(C(=O)CCCC)CCCCCCC |