![2-acetyl-2,3,4,9-tetrahydro-1-(trifluoromethyl)-1H-pyrido[3,4-b]indole](/api/spectrum/1vgsMGHTvZr/structure.png?h=300&w=458 "2-acetyl-2,3,4,9-tetrahydro-1-(trifluoromethyl)-1H-pyrido[3,4-b]indole")
| SpectraBase Compound ID | K7OLfOV4rfL |
|---|---|
| InChI | InChI=1S/C14H13F3N2O/c1-8(20)19-7-6-10-9-4-2-3-5-11(9)18-12(10)13(19)14(15,16)17/h2-5,13,18H,6-7H2,1H3 |
| InChIKey | MJFPNAAAAPOOGL-UHFFFAOYSA-N |
| Mol Weight | 282.27 g/mol |
| Molecular Formula | C14H13F3N2O |
| Exact Mass | 282.097998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vgsMGHTvZr |
|---|---|
| Name | 2-Acetyl-2,3,4,9-tetrahydro-1-(trifluoromethyl)-1H-pyrido[3,4-B]indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.097997535 u |
| Formula | C14H13F3N2O |
| InChI | InChI=1S/C14H13F3N2O/c1-8(20)19-7-6-10-9-4-2-3-5-11(9)18-12(10)13(19)14(15,16)17/h2-5,13,18H,6-7H2,1H3 |
| InChIKey | MJFPNAAAAPOOGL-UHFFFAOYSA-N |
| Molecular Weight | 282.266 g/mol |
| SMILES | N1C=2C=CC=CC2C2=C1C(N(CC2)C(=O)C)C(F)(F)F |