| SpectraBase Compound ID | Ue7ijIgMnW |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-6-7-11-14-22(17-19-12-9-8-10-13-19)20(23)15-18(2)16-21(3,4)5/h8-10,12-13,18H,6-7,11,14-17H2,1-5H3 |
| InChIKey | LYOLPVHTVCIDRV-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 | DUwgQ38J8vD |
|---|---|
| Name | Hexanamide, 3,5,5-trimethyl-N-benzyl-N-pentyl- |
| 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/c1-6-7-11-14-22(17-19-12-9-8-10-13-19)20(23)15-18(2)16-21(3,4)5/h8-10,12-13,18H,6-7,11,14-17H2,1-5H3 |
| InChIKey | LYOLPVHTVCIDRV-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCCCC)CC1=CC=CC=C1)(=O)CC(C)CC(C)(C)C |