| SpectraBase Compound ID | K9XRG6hHQin |
|---|---|
| InChI | InChI=1S/C14H13F6NO2/c1-9(7-8-10-5-3-2-4-6-10)21(11(22)13(15,16)17)12(23)14(18,19)20/h2-6,9H,7-8H2,1H3 |
| InChIKey | LQCKOPUFRFBHDC-UHFFFAOYSA-N |
| Mol Weight | 341.25 g/mol |
| Molecular Formula | C14H13F6NO2 |
| Exact Mass | 341.085048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtLer9lwOfh |
|---|---|
| Name | 1-Methyl-3-phenylpropylamine, N,N-bis-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.085047639 u |
| Formula | C14H13F6NO2 |
| InChI | InChI=1S/C14H13F6NO2/c1-9(7-8-10-5-3-2-4-6-10)21(11(22)13(15,16)17)12(23)14(18,19)20/h2-6,9H,7-8H2,1H3 |
| InChIKey | LQCKOPUFRFBHDC-UHFFFAOYSA-N |
| Molecular Weight | 341.253 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(N(C(C(F)(F)F)=O)C(=O)C(F)(F)F)C |