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N-(9-Ethyl-9H-carbazol-3-yl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
SpectraBase Compound ID 3Bk81iCo2ym
InChI InChI=1S/C18H12F6N2O2/c1-2-25-13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)26(15(27)17(19,20)21)16(28)18(22,23)24/h3-9H,2H2,1H3
InChIKey OPJPJLVPASWYAB-UHFFFAOYSA-N
Mol Weight 402.3 g/mol
Molecular Formula C18H12F6N2O2
Exact Mass 402.080297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeGdsB8bMDI
Name N-(9-Ethyl-9H-carbazol-3-yl)-2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 402.080296610 u
Formula C18H12F6N2O2
InChI InChI=1S/C18H12F6N2O2/c1-2-25-13-6-4-3-5-11(13)12-9-10(7-8-14(12)25)26(15(27)17(19,20)21)16(28)18(22,23)24/h3-9H,2H2,1H3
InChIKey OPJPJLVPASWYAB-UHFFFAOYSA-N
Molecular Weight 402.296 g/mol
SMILES CCN1C2=C(C=CC=C2)C2=C1C=CC(=C2)N(C(=O)C(F)(F)F)C(=O)C(F)(F)F