| SpectraBase Compound ID | Dm1hwBXPWlv |
|---|---|
| InChI | InChI=1S/C16H12F5NO/c1-8-2-4-9(5-3-8)6-7-22-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-5H,6-7H2,1H3,(H,22,23) |
| InChIKey | QSNBNTVHZJJMMO-UHFFFAOYSA-N |
| Mol Weight | 329.27 g/mol |
| Molecular Formula | C16H12F5NO |
| Exact Mass | 329.083905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EC1IZX93hfF |
|---|---|
| Name | 2-(4-Methylphenyl)ethylamine, pentafluorobenzoyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.083904824 u |
| Formula | C16H12F5NO |
| InChI | InChI=1S/C16H12F5NO/c1-8-2-4-9(5-3-8)6-7-22-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-5H,6-7H2,1H3,(H,22,23) |
| InChIKey | QSNBNTVHZJJMMO-UHFFFAOYSA-N |
| Molecular Weight | 329.270 g/mol |
| SMILES | C1=C(C=CC(=C1)C)CCNC(=O)C1=C(C(=C(C(=C1F)F)F)F)F |