| SpectraBase Compound ID | DIFeYu4fLHT |
|---|---|
| InChI | InChI=1S/C19H31NO/c1-6-8-9-13-17(5)20(16(4)7-2)19(21)18-14-11-10-12-15(18)3/h10-12,14,16-17H,6-9,13H2,1-5H3 |
| InChIKey | CCAHKZMFZWZVAT-UHFFFAOYSA-N |
| Mol Weight | 289.46 g/mol |
| Molecular Formula | C19H31NO |
| Exact Mass | 289.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zzl79ofA2Q |
|---|---|
| Name | Benzamide, 2-methyl-N-(2-butyl)-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.240564621 u |
| Formula | C19H31NO |
| InChI | InChI=1S/C19H31NO/c1-6-8-9-13-17(5)20(16(4)7-2)19(21)18-14-11-10-12-15(18)3/h10-12,14,16-17H,6-9,13H2,1-5H3 |
| InChIKey | CCAHKZMFZWZVAT-UHFFFAOYSA-N |
| Molecular Weight | 289.463 g/mol |
| SMILES | C(N(C(CCCCC)C)C(CC)C)(=O)C=1C(C)=CC=CC1 |