| SpectraBase Compound ID | 22IOwAhWHxB |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-3-5-6-7-8-13-16(18)17-15-12-10-9-11-14(15)4-2/h9-12H,3-8,13H2,1-2H3,(H,17,18) |
| InChIKey | ZCSMXOKLJYHILX-UHFFFAOYSA-N |
| Mol Weight | 247.38 g/mol |
| Molecular Formula | C16H25NO |
| Exact Mass | 247.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrtE2pXHtNX |
|---|---|
| Name | Octanamide, N-(2-ethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.193614428 u |
| Formula | C16H25NO |
| InChI | InChI=1S/C16H25NO/c1-3-5-6-7-8-13-16(18)17-15-12-10-9-11-14(15)4-2/h9-12H,3-8,13H2,1-2H3,(H,17,18) |
| InChIKey | ZCSMXOKLJYHILX-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C(CCCC)CCC(=O)NC=1C(CC)=CC=CC1 |