| SpectraBase Compound ID | ANACpS0lUY4 |
|---|---|
| InChI | InChI=1S/C25H43NO/c1-4-6-7-8-9-10-11-12-13-17-21-26(25(27)23(3)18-5-2)22-24-19-15-14-16-20-24/h14-16,19-20,23H,4-13,17-18,21-22H2,1-3H3 |
| InChIKey | MBJSRIAHNCDQBC-UHFFFAOYSA-N |
| Mol Weight | 373.6 g/mol |
| Molecular Formula | C25H43NO |
| Exact Mass | 373.334465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46awzI9Iqsp |
|---|---|
| Name | Valeramide, 2-methyl-N-benzyl-N-dodecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.334465008 u |
| Formula | C25H43NO |
| InChI | InChI=1S/C25H43NO/c1-4-6-7-8-9-10-11-12-13-17-21-26(25(27)23(3)18-5-2)22-24-19-15-14-16-20-24/h14-16,19-20,23H,4-13,17-18,21-22H2,1-3H3 |
| InChIKey | MBJSRIAHNCDQBC-UHFFFAOYSA-N |
| Molecular Weight | 373.625 g/mol |
| SMILES | C(=O)(N(CCCCCCCCCCCC)CC1=CC=CC=C1)C(C)CCC |