| SpectraBase Compound ID | FDLk7mwImUC |
|---|---|
| InChI | InChI=1S/C12H5F6NO2/c13-11(14,15)9(20)7-5-19(10(21)12(16,17)18)8-4-2-1-3-6(7)8/h1-5H |
| InChIKey | UGXWCGIPAKXLSL-UHFFFAOYSA-N |
| Mol Weight | 309.17 g/mol |
| Molecular Formula | C12H5F6NO2 |
| Exact Mass | 309.022447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94IwrkNIbuK |
|---|---|
| Name | Indole, N,3-di(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.022447381 u |
| Formula | C12H5F6NO2 |
| InChI | InChI=1S/C12H5F6NO2/c13-11(14,15)9(20)7-5-19(10(21)12(16,17)18)8-4-2-1-3-6(7)8/h1-5H |
| InChIKey | UGXWCGIPAKXLSL-UHFFFAOYSA-N |
| Molecular Weight | 309.167 g/mol |
| SMILES | C1=2N(C=C(C2C=CC=C1)C(C(F)(F)F)=O)C(C(F)(F)F)=O |