| SpectraBase Compound ID | 4x6xj1cNdPb |
|---|---|
| InChI | InChI=1S/C17H27NO/c1-4-7-13-16(5-2)17(19)18(6-3)14-15-11-9-8-10-12-15/h8-12,16H,4-7,13-14H2,1-3H3 |
| InChIKey | MZZQCLWVGGTQBH-UHFFFAOYSA-N |
| Mol Weight | 261.41 g/mol |
| Molecular Formula | C17H27NO |
| Exact Mass | 261.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BgoiPfignVb |
|---|---|
| Name | Hexanoylamide, 2-ethyl-N-benzyl-N-ethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.209264492 u |
| Formula | C17H27NO |
| InChI | InChI=1S/C17H27NO/c1-4-7-13-16(5-2)17(19)18(6-3)14-15-11-9-8-10-12-15/h8-12,16H,4-7,13-14H2,1-3H3 |
| InChIKey | MZZQCLWVGGTQBH-UHFFFAOYSA-N |
| Molecular Weight | 261.409 g/mol |
| SMILES | C(N(CC)CC1=CC=CC=C1)(=O)C(CC)CCCC |