| SpectraBase Compound ID | FpqVkWskQ2Q |
|---|---|
| InChI | InChI=1S/C19H18FN3O/c1-13(2)11-21-19(24)18-16-5-3-4-6-17(16)23(22-18)12-14-7-9-15(20)10-8-14/h3-11,13H,12H2,1-2H3/b21-11+ |
| InChIKey | WURGPCVMTMSQKP-SRZZPIQSSA-N |
| Mol Weight | 323.37 g/mol |
| Molecular Formula | C19H18FN3O |
| Exact Mass | 323.14339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ui3nqazl1S |
|---|---|
| Name | ab-Fubinaca-A (-co,-NH3) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.143390374 u |
| Formula | C19H18FN3O |
| InChI | InChI=1S/C19H18FN3O/c1-13(2)11-21-19(24)18-16-5-3-4-6-17(16)23(22-18)12-14-7-9-15(20)10-8-14/h3-11,13H,12H2,1-2H3/b21-11+ |
| InChIKey | WURGPCVMTMSQKP-SRZZPIQSSA-N |
| Molecular Weight | 323.371 g/mol |
| SMILES | C=12C(C(=NN2CC2=CC=C(C=C2)F)C(\N=C\C(C)C)=O)=CC=CC1 |