| SpectraBase Compound ID | 9gLhG8mOaTT |
|---|---|
| InChI | InChI=1S/C14H16F5NO4/c1-22-9-7-11(24-3)10(23-2)6-8(9)4-5-20-12(21)13(15,16)14(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,21) |
| InChIKey | KOROIOGYFPXVEV-UHFFFAOYSA-N |
| Mol Weight | 357.28 g/mol |
| Molecular Formula | C14H16F5NO4 |
| Exact Mass | 357.099949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEcxUZYvMEM |
|---|---|
| Name | 2-(2,4,5-Trimethoxyphenyl)ethylamine, pfp |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.099948810 u |
| Formula | C14H16F5NO4 |
| InChI | InChI=1S/C14H16F5NO4/c1-22-9-7-11(24-3)10(23-2)6-8(9)4-5-20-12(21)13(15,16)14(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,21) |
| InChIKey | KOROIOGYFPXVEV-UHFFFAOYSA-N |
| Molecular Weight | 357.277 g/mol |
| SMILES | COC1=C(C=C(CCNC(=O)C(F)(F)C(F)(F)F)C(=C1)OC)OC |