| SpectraBase Compound ID | 69WDYBphC5X |
|---|---|
| InChI | InChI=1S/C13H10F6N2O/c14-12(15,16)10-8(5-6-20-11(22)13(17,18)19)7-3-1-2-4-9(7)21-10/h1-4,21H,5-6H2,(H,20,22) |
| InChIKey | VCSOBPRNODNQAD-UHFFFAOYSA-N |
| Mol Weight | 324.23 g/mol |
| Molecular Formula | C13H10F6N2O |
| Exact Mass | 324.069732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6oySeHboqJ |
|---|---|
| Name | N-tfa-2-Trifluoromethyltryptamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.069731927 u |
| Formula | C13H10F6N2O |
| InChI | InChI=1S/C13H10F6N2O/c14-12(15,16)10-8(5-6-20-11(22)13(17,18)19)7-3-1-2-4-9(7)21-10/h1-4,21H,5-6H2,(H,20,22) |
| InChIKey | VCSOBPRNODNQAD-UHFFFAOYSA-N |
| Molecular Weight | 324.226 g/mol |
| SMILES | C12=C(C=CC=C2)C(CCNC(=O)C(F)(F)F)=C(N1)C(F)(F)F |