| SpectraBase Compound ID | L2Cq0jYQQNQ |
|---|---|
| InChI | InChI=1S/C12H9F6NO2/c1-7(8-5-3-2-4-6-8)19(9(20)11(13,14)15)10(21)12(16,17)18/h2-7H,1H3 |
| InChIKey | XSHIHAQXVRWXIR-UHFFFAOYSA-N |
| Mol Weight | 313.2 g/mol |
| Molecular Formula | C12H9F6NO2 |
| Exact Mass | 313.053748 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYvST2WrBvq |
|---|---|
| Name | 1-Phenylethylamine, N,N-bis(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.053747510 u |
| Formula | C12H9F6NO2 |
| InChI | InChI=1S/C12H9F6NO2/c1-7(8-5-3-2-4-6-8)19(9(20)11(13,14)15)10(21)12(16,17)18/h2-7H,1H3 |
| InChIKey | XSHIHAQXVRWXIR-UHFFFAOYSA-N |
| Molecular Weight | 313.199 g/mol |
| SMILES | C1=C(C=CC=C1)C(N(C(=O)C(F)(F)F)C(C(F)(F)F)=O)C |