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N-Butyl-3-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

View entire compound with spectra: 1 NMR

N-Butyl-3-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SpectraBase Compound ID 3rC9Ask17tG
InChI InChI=1S/C20H18F3N3O/c1-2-3-12-24-19(27)18-17(25-15-6-4-5-7-16(15)26-18)13-8-10-14(11-9-13)20(21,22)23/h4-11H,2-3,12H2,1H3,(H,24,27)
InChIKey PMQVOUZCJQCUBL-UHFFFAOYSA-N
Mol Weight 373.38 g/mol
Molecular Formula C20H18F3N3O
Exact Mass 373.140197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HODC2xMfnD
Name N-Butyl-3-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 373.140196700 u
Formula C20H18F3N3O
InChI InChI=1S/C20H18F3N3O/c1-2-3-12-24-19(27)18-17(25-15-6-4-5-7-16(15)26-18)13-8-10-14(11-9-13)20(21,22)23/h4-11H,2-3,12H2,1H3,(H,24,27)
InChIKey PMQVOUZCJQCUBL-UHFFFAOYSA-N
Molecular Weight 373.379 g/mol
SMILES C1(=NC2=C(N=C1C1=CC=C(C=C1)C(F)(F)F)C=CC=C2)C(=O)NCCCC