| SpectraBase Compound ID | 4Qck7IDpGxh |
|---|---|
| InChI | InChI=1S/C16H17F3N2O3/c1-10(13(22)11-6-3-2-4-7-11)20-14(23)12-8-5-9-21(12)15(24)16(17,18)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,20,23)/t10-,12?/m0/s1 |
| InChIKey | DJYSWFQRSKUFOF-NUHJPDEHSA-N |
| Mol Weight | 342.32 g/mol |
| Molecular Formula | C16H17F3N2O3 |
| Exact Mass | 342.119127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2E79Ovr41ys |
|---|---|
| Name | Cathinone tpc derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.119126901 u |
| Formula | C16H17F3N2O3 |
| InChI | InChI=1S/C16H17F3N2O3/c1-10(13(22)11-6-3-2-4-7-11)20-14(23)12-8-5-9-21(12)15(24)16(17,18)19/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,20,23)/t10-,12?/m0/s1 |
| InChIKey | DJYSWFQRSKUFOF-NUHJPDEHSA-N |
| Molecular Weight | 342.318 g/mol |
| SMILES | C(F)(F)(F)C(N1C(C(N[C@](C(C2=CC=CC=C2)=O)(C)[H])=O)CCC1)=O |