| SpectraBase Compound ID | 7CzOXs4ZcyB |
|---|---|
| InChI | InChI=1S/C19H23F2N3O/c1-14(2)13-22-19(25)18-12-17(15-6-8-16(21)9-7-15)23-24(18)11-5-3-4-10-20/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25) |
| InChIKey | HAJSDGNGSUYWCR-UHFFFAOYSA-N |
| Mol Weight | 347.41 g/mol |
| Molecular Formula | C19H23F2N3O |
| Exact Mass | 347.180919 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbNvlnlNrdq |
|---|---|
| Name | 3,5-5F ab-Fuppyca-A (-CONH3) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.180918698 u |
| Formula | C19H23F2N3O |
| InChI | InChI=1S/C19H23F2N3O/c1-14(2)13-22-19(25)18-12-17(15-6-8-16(21)9-7-15)23-24(18)11-5-3-4-10-20/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25) |
| InChIKey | HAJSDGNGSUYWCR-UHFFFAOYSA-N |
| Molecular Weight | 347.410 g/mol |
| SMILES | C=1(N(N=C(C2=CC=C(C=C2)F)C1)CCCCCF)C(NC=C(C)C)=O |