| SpectraBase Compound ID | DAL1mwZSqzH |
|---|---|
| InChI | InChI=1S/C29H59NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(28(5)25-8-3)29(31)27(4)24-7-2/h27-28H,6-26H2,1-5H3 |
| InChIKey | SHEKLOHCBBFGRM-UHFFFAOYSA-N |
| Mol Weight | 437.8 g/mol |
| Molecular Formula | C29H59NO |
| Exact Mass | 437.459666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2G6pTagEdnf |
|---|---|
| Name | Valeramide, 2-methyl-N-(2-pentyl)-N-octadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.459665523 u |
| Formula | C29H59NO |
| InChI | InChI=1S/C29H59NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(28(5)25-8-3)29(31)27(4)24-7-2/h27-28H,6-26H2,1-5H3 |
| InChIKey | SHEKLOHCBBFGRM-UHFFFAOYSA-N |
| Molecular Weight | 437.797 g/mol |
| SMILES | C(N(CCCCCCCCCCCCCCCCCC)C(CCC)C)(=O)C(CCC)C |