| SpectraBase Compound ID | IHKWkUmKypK |
|---|---|
| InChI | InChI=1S/C21H27NO/c1-3-5-9-18-12-14-20(15-13-18)21(23)22(16-4-2)17-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-17H2,1-2H3 |
| InChIKey | WCIAOWJEMCCJCV-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C21H27NO |
| Exact Mass | 309.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsQPgXhfVq4 |
|---|---|
| Name | Benzamide, 4-butyl-N-benzyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.209264492 u |
| Formula | C21H27NO |
| InChI | InChI=1S/C21H27NO/c1-3-5-9-18-12-14-20(15-13-18)21(23)22(16-4-2)17-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-17H2,1-2H3 |
| InChIKey | WCIAOWJEMCCJCV-UHFFFAOYSA-N |
| Molecular Weight | 309.453 g/mol |
| SMILES | C(N(CCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)CCCC |