| SpectraBase Compound ID | K6bhAfzHV1a |
|---|---|
| InChI | InChI=1S/C12H16F3NO2/c1-17-10-4-3-9(7-11(10)18-2)5-6-16-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3 |
| InChIKey | UHWRNUXDCOQKRP-UHFFFAOYSA-N |
| Mol Weight | 263.26 g/mol |
| Molecular Formula | C12H16F3NO2 |
| Exact Mass | 263.113313 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CzK2ozUjJ70 |
|---|---|
| Name | 3,4-Dimethoxyphenethylamine tfa (-o,+2H) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.113313246 u |
| Formula | C12H16F3NO2 |
| InChI | InChI=1S/C12H16F3NO2/c1-17-10-4-3-9(7-11(10)18-2)5-6-16-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3 |
| InChIKey | UHWRNUXDCOQKRP-UHFFFAOYSA-N |
| Molecular Weight | 263.260 g/mol |
| SMILES | C1(=C(C=CC(=C1)CCNCC(F)(F)F)OC)OC |