| SpectraBase Compound ID | 1sKEteLrU6h |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-7-10-16-21(23)22(17-19(6-3)13-8-5-2)18-20-14-11-9-12-15-20/h9,11-12,14-15,19H,4-8,10,13,16-18H2,1-3H3 |
| InChIKey | ZTLVHDWHEZWFTC-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 | DqthlwtkcHJ |
|---|---|
| Name | Hexanamide, N-benzyl-N-(2-ethylhexyl)- |
| 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/c1-4-7-10-16-21(23)22(17-19(6-3)13-8-5-2)18-20-14-11-9-12-15-20/h9,11-12,14-15,19H,4-8,10,13,16-18H2,1-3H3 |
| InChIKey | ZTLVHDWHEZWFTC-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CC(CCCC)CC)CC1=CC=CC=C1)(=O)CCCCC |