| SpectraBase Compound ID | 12rBprP6nAS |
|---|---|
| InChI | InChI=1S/C14H13Cl4NO2/c15-10-6-2-1-5-9(10)13(8-4-3-7-11(13)20)19-12(21)14(16,17)18/h1-2,5-6H,3-4,7-8H2,(H,19,21) |
| InChIKey | DJPNPFIBGOXYIM-UHFFFAOYSA-N |
| Mol Weight | 369.1 g/mol |
| Molecular Formula | C14H13Cl4NO2 |
| Exact Mass | 366.970039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7HWDVmxOR1a |
|---|---|
| Name | Trichloroacetyl-norketamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.970039461 u |
| Formula | C14H13Cl4NO2 |
| InChI | InChI=1S/C14H13Cl4NO2/c15-10-6-2-1-5-9(10)13(8-4-3-7-11(13)20)19-12(21)14(16,17)18/h1-2,5-6H,3-4,7-8H2,(H,19,21) |
| InChIKey | DJPNPFIBGOXYIM-UHFFFAOYSA-N |
| Molecular Weight | 369.075 g/mol |
| SMILES | C1CCC(C(C1)(C1=CC=CC=C1Cl)NC(C(Cl)(Cl)Cl)=O)=O |