| SpectraBase Compound ID | 4egJW2YCisW |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-6-7-8-12-18-22(19(3)13-5-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3 |
| InChIKey | HABMALIAPLHTEG-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApPhfkPD6Pa |
|---|---|
| Name | Propionamide, 3-phenyl-N-(2-pentyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-4-6-7-8-12-18-22(19(3)13-5-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3 |
| InChIKey | HABMALIAPLHTEG-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(C(CCC)C)C(=O)CCC1=CC=CC=C1)CCCCCC |