| SpectraBase Compound ID | 3NpOHxbInBE |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-3-5-6-7-8-9-13-19-22(18-4-2)21(23)17-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3 |
| InChIKey | VKXWQAJGAOJTTK-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 | LeDbE5HNXRI |
|---|---|
| Name | Propionamide, 3-phenyl-N-propyl-N-nonyl- |
| 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/c1-3-5-6-7-8-9-13-19-22(18-4-2)21(23)17-16-20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-19H2,1-2H3 |
| InChIKey | VKXWQAJGAOJTTK-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(=O)(N(CCC)CCCCCCCCC)CCC=1C=CC=CC1 |