![N-[2-(1-cyclohexen-1-yl)ethyl]-4-methylbenzamide](/api/spectrum/43GGcgGk9lf/structure.png?h=300&w=458 "N-[2-(1-cyclohexen-1-yl)ethyl]-4-methylbenzamide")
| SpectraBase Compound ID | IOTJDJXrGLD |
|---|---|
| InChI | InChI=1S/C16H21NO/c1-13-7-9-15(10-8-13)16(18)17-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18) |
| InChIKey | MSWSHCBWYJMHLH-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C16H21NO |
| Exact Mass | 243.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43GGcgGk9lf |
|---|---|
| Name | N-[2-(1-Cyclohexen-1-yl)ethyl]-4-methylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.162314299 u |
| Formula | C16H21NO |
| InChI | InChI=1S/C16H21NO/c1-13-7-9-15(10-8-13)16(18)17-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18) |
| InChIKey | MSWSHCBWYJMHLH-UHFFFAOYSA-N |
| Molecular Weight | 243.350 g/mol |
| SMILES | N(C(C=1C=CC(=CC1)C)=O)CCC1=CCCCC1 |