| SpectraBase Compound ID | ZyLwbgCeGz |
|---|---|
| InChI | InChI=1S/C19H16F15NO3/c1-8-6-11(38-3)9(7-10(8)37-2)4-5-35-12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h6-7H,4-5H2,1-3H3,(H,35,36) |
| InChIKey | ZYNYZYXOJQDEQT-UHFFFAOYSA-N |
| Mol Weight | 591.32 g/mol |
| Molecular Formula | C19H16F15NO3 |
| Exact Mass | 591.089066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8FnwfjlNoth |
|---|---|
| Name | 2,5-Dimethoxy-4-methylphenethylamine pfo |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 591.089065821 u |
| Formula | C19H16F15NO3 |
| InChI | InChI=1S/C19H16F15NO3/c1-8-6-11(38-3)9(7-10(8)37-2)4-5-35-12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h6-7H,4-5H2,1-3H3,(H,35,36) |
| InChIKey | ZYNYZYXOJQDEQT-UHFFFAOYSA-N |
| Molecular Weight | 591.317 g/mol |
| SMILES | C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(NCCC1=C(C=C(C(=C1)OC)C)OC)=O)(F)F)(F)F)(F)F |