| SpectraBase Compound ID | FyrxKCAejTL |
|---|---|
| InChI | InChI=1S/C13H12F4N2O/c1-7(19-12(20)13(15,16)17)4-8-6-18-11-3-2-9(14)5-10(8)11/h2-3,5-7,18H,4H2,1H3,(H,19,20) |
| InChIKey | PPTNJUNZQDTBRD-UHFFFAOYSA-N |
| Mol Weight | 288.25 g/mol |
| Molecular Formula | C13H12F4N2O |
| Exact Mass | 288.088576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JRgyE6aH0u1 |
|---|---|
| Name | 5-Fluoro-alpha-methyltryptamine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.088575665 u |
| Formula | C13H12F4N2O |
| InChI | InChI=1S/C13H12F4N2O/c1-7(19-12(20)13(15,16)17)4-8-6-18-11-3-2-9(14)5-10(8)11/h2-3,5-7,18H,4H2,1H3,(H,19,20) |
| InChIKey | PPTNJUNZQDTBRD-UHFFFAOYSA-N |
| Molecular Weight | 288.246 g/mol |
| SMILES | C=12C(=CNC2=CC=C(C1)F)CC(NC(C(F)(F)F)=O)C |