| SpectraBase Compound ID | IXZCZf6owvH |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-17(2)12-13-22(16-19-10-8-7-9-11-19)20(23)14-18(3)15-21(4,5)6/h7-11,17-18H,12-16H2,1-6H3 |
| InChIKey | PIPWMIGSSOYQEN-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C6oQI9cMdqE |
|---|---|
| Name | Hexanamide, 3,5,5-trimethyl-N-benzyl-N-(3-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-17(2)12-13-22(16-19-10-8-7-9-11-19)20(23)14-18(3)15-21(4,5)6/h7-11,17-18H,12-16H2,1-6H3 |
| InChIKey | PIPWMIGSSOYQEN-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCC(C)C)CC1=CC=CC=C1)(=O)CC(C)CC(C)(C)C |