| SpectraBase Compound ID | B8jSUdFfGfE |
|---|---|
| InChI | InChI=1S/C28H57NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29(27(5)8-3)28(30)26(4)24-7-2/h26-27H,6-25H2,1-5H3 |
| InChIKey | GCODMBTYZZLVTJ-UHFFFAOYSA-N |
| Mol Weight | 423.8 g/mol |
| Molecular Formula | C28H57NO |
| Exact Mass | 423.444015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LbK5HE5r3cA |
|---|---|
| Name | Valeramide, 2-methyl-N-(2-butyl)-N-octadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.444015458 u |
| Formula | C28H57NO |
| InChI | InChI=1S/C28H57NO/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-29(27(5)8-3)28(30)26(4)24-7-2/h26-27H,6-25H2,1-5H3 |
| InChIKey | GCODMBTYZZLVTJ-UHFFFAOYSA-N |
| Molecular Weight | 423.770 g/mol |
| SMILES | C(N(CCCCCCCCCCCCCCCCCC)C(CC)C)(=O)C(C)CCC |