| SpectraBase Compound ID | 44no4k6bKJA |
|---|---|
| InChI | InChI=1S/C18H23FN2O/c1-14(2)12-20-18(22)16-13-21(11-7-3-6-10-19)17-9-5-4-8-15(16)17/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,22) |
| InChIKey | UNBCWPGPYFAFHW-UHFFFAOYSA-N |
| Mol Weight | 302.39 g/mol |
| Molecular Formula | C18H23FN2O |
| Exact Mass | 302.179442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8eLNzVw0hVd |
|---|---|
| Name | 5-Fluoro-abica -CONH3 P920 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.179441531 u |
| Formula | C18H23FN2O |
| InChI | InChI=1S/C18H23FN2O/c1-14(2)12-20-18(22)16-13-21(11-7-3-6-10-19)17-9-5-4-8-15(16)17/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3,(H,20,22) |
| InChIKey | UNBCWPGPYFAFHW-UHFFFAOYSA-N |
| Molecular Weight | 302.393 g/mol |
| SMILES | C=1C=C2C(=CC1)N(C=C2C(NC=C(C)C)=O)CCCCCF |