| SpectraBase Compound ID | KqP8HnjgwuE |
|---|---|
| InChI | InChI=1S/C16H25NO/c1-4-5-6-7-8-11-17-16(18)15-10-9-13(2)12-14(15)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,18) |
| InChIKey | TXKSYNQBHIRTBQ-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 | 2DaWECPhqG9 |
|---|---|
| Name | Benzamide, 2,4-dimethyl-N-heptyl- |
| 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/c1-4-5-6-7-8-11-17-16(18)15-10-9-13(2)12-14(15)3/h9-10,12H,4-8,11H2,1-3H3,(H,17,18) |
| InChIKey | TXKSYNQBHIRTBQ-UHFFFAOYSA-N |
| Molecular Weight | 247.382 g/mol |
| SMILES | C(CNC(=O)C1=C(C)C=C(C)C=C1)CCCCC |