| SpectraBase Compound ID | 7hAcmCYjPpA |
|---|---|
| InChI | InChI=1S/C21H32FN3O3Si/c1-15(2)18(21(27)28-29(3,4)5)23-20(26)19-16-11-7-8-12-17(16)25(24-19)14-10-6-9-13-22/h7-8,11-12,15,18H,6,9-10,13-14H2,1-5H3,(H,23,26)/t18-/m0/s1 |
| InChIKey | SFPTWLSCORGVQZ-SFHVURJKSA-N |
| Mol Weight | 421.6 g/mol |
| Molecular Formula | C21H32FN3O3Si |
| Exact Mass | 421.219697 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJQMscJ3Dxv |
|---|---|
| Name | 5-Fluoro amb metabolite 7, trimethylsilyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.219696597 u |
| Formula | C21H32FN3O3Si |
| InChI | InChI=1S/C21H32FN3O3Si/c1-15(2)18(21(27)28-29(3,4)5)23-20(26)19-16-11-7-8-12-17(16)25(24-19)14-10-6-9-13-22/h7-8,11-12,15,18H,6,9-10,13-14H2,1-5H3,(H,23,26)/t18-/m0/s1 |
| InChIKey | SFPTWLSCORGVQZ-SFHVURJKSA-N |
| Molecular Weight | 421.588 g/mol |
| SMILES | C(N[C@@](C(C)C)(C(O[Si](C)(C)C)=O)[H])(=O)C=1C2=C(C=CC=C2)N(N1)CCCCCF |