| SpectraBase Compound ID | 58ihDtlJE8O |
|---|---|
| InChI | InChI=1S/C23H39NO/c1-4-6-7-8-9-10-14-19-24(23(25)21(3)15-5-2)20-18-22-16-12-11-13-17-22/h11-13,16-17,21H,4-10,14-15,18-20H2,1-3H3 |
| InChIKey | SGDCZDCDFRXMIG-UHFFFAOYSA-N |
| Mol Weight | 345.6 g/mol |
| Molecular Formula | C23H39NO |
| Exact Mass | 345.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jCYBVbF0W8 |
|---|---|
| Name | Valeramide, 2-methyl-N-(2-phenylethyl)-N-nonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.303164879 u |
| Formula | C23H39NO |
| InChI | InChI=1S/C23H39NO/c1-4-6-7-8-9-10-14-19-24(23(25)21(3)15-5-2)20-18-22-16-12-11-13-17-22/h11-13,16-17,21H,4-10,14-15,18-20H2,1-3H3 |
| InChIKey | SGDCZDCDFRXMIG-UHFFFAOYSA-N |
| Molecular Weight | 345.571 g/mol |
| SMILES | C1=CC=CC(=C1)CCN(C(=O)C(CCC)C)CCCCCCCCC |