| SpectraBase Compound ID | LUQVEGtqRnA |
|---|---|
| InChI | InChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19) |
| InChIKey | SFZDYZZYPDGADB-UHFFFAOYSA-N |
| Mol Weight | 286.25 g/mol |
| Molecular Formula | C13H13F3N2O2 |
| Exact Mass | 286.092912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CQJAKQUmLP |
|---|---|
| Name | N-tfa-5-Methoxytryptamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.092912154 u |
| Formula | C13H13F3N2O2 |
| InChI | InChI=1S/C13H13F3N2O2/c1-20-9-2-3-11-10(6-9)8(7-18-11)4-5-17-12(19)13(14,15)16/h2-3,6-7,18H,4-5H2,1H3,(H,17,19) |
| InChIKey | SFZDYZZYPDGADB-UHFFFAOYSA-N |
| Molecular Weight | 286.254 g/mol |
| SMILES | C1=C(C=CC2=C1C(CCNC(=O)C(F)(F)F)=CN2)OC |