| SpectraBase Compound ID | DehWzQpFtXG |
|---|---|
| InChI | InChI=1S/C12H14ClF2NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17) |
| InChIKey | SPUUMAFFKKBVHV-UHFFFAOYSA-N |
| Mol Weight | 293.7 g/mol |
| Molecular Formula | C12H14ClF2NO3 |
| Exact Mass | 293.063027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmELF51Wx1Q |
|---|---|
| Name | 2-(3,4-Dimethoxyphenyl)thylamine, N-chlorodifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.063027338 u |
| Formula | C12H14ClF2NO3 |
| InChI | InChI=1S/C12H14ClF2NO3/c1-18-9-4-3-8(7-10(9)19-2)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17) |
| InChIKey | SPUUMAFFKKBVHV-UHFFFAOYSA-N |
| Molecular Weight | 293.698 g/mol |
| SMILES | C1=C(C(=CC=C1CCNC(C(F)(F)Cl)=O)OC)OC |