| SpectraBase Compound ID | HCuJiDZYrDj |
|---|---|
| InChI | InChI=1S/C17H20F5NO/c1-9(8-10-6-4-3-5-7-10)23(2)17(24)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,3-8H2,1-2H3 |
| InChIKey | WSHFSRSERAWQBG-UHFFFAOYSA-N |
| Mol Weight | 349.35 g/mol |
| Molecular Formula | C17H20F5NO |
| Exact Mass | 349.146505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0ELpj6Lnvi |
|---|---|
| Name | Propylhexedrine, N-pentafluorobenzoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.146505082 u |
| Formula | C17H20F5NO |
| InChI | InChI=1S/C17H20F5NO/c1-9(8-10-6-4-3-5-7-10)23(2)17(24)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,3-8H2,1-2H3 |
| InChIKey | WSHFSRSERAWQBG-UHFFFAOYSA-N |
| Molecular Weight | 349.345 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)C(N(C(CC1CCCCC1)C)C)=O)F |