| SpectraBase Compound ID | DmLtBzspu1l |
|---|---|
| InChI | InChI=1S/C18H24FN3O3/c1-12(2)15(18(24)25)20-17(23)16-13-8-4-5-9-14(13)22(21-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,20,23)(H,24,25)/t15-/m1/s1 |
| InChIKey | FGTPKIQXNMGJLF-OAHLLOKOSA-N |
| Mol Weight | 349.41 g/mol |
| Molecular Formula | C18H24FN3O3 |
| Exact Mass | 349.18017 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FD7rb3NfbU |
|---|---|
| Name | 5-Fluoro-amb metabolite 7 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.180169805 u |
| Formula | C18H24FN3O3 |
| InChI | InChI=1S/C18H24FN3O3/c1-12(2)15(18(24)25)20-17(23)16-13-8-4-5-9-14(13)22(21-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,20,23)(H,24,25)/t15-/m1/s1 |
| InChIKey | FGTPKIQXNMGJLF-OAHLLOKOSA-N |
| Molecular Weight | 349.406 g/mol |
| SMILES | C1=C2C(=CC=C1)N(N=C2C(N[C@@](C(=O)O)(C(C)C)[H])=O)CCCCCF |