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benzamide, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID HbQuPdZfwuC
InChI InChI=1S/C20H17F3N2O/c1-13-10-11-14(2)25(13)16-7-5-6-15(12-16)19(26)24-18-9-4-3-8-17(18)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKey QPOGFEVRCCIRJU-UHFFFAOYSA-N
Mol Weight 358.36 g/mol
Molecular Formula C20H17F3N2O
Exact Mass 358.129298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NAziBN4zLM
Name Benzamide, 3-(2,5-dimethyl-1H-pyrrol-1-yl)-N-[2-(trifluoromethyl)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 358.129297663 u
Formula C20H17F3N2O
InChI InChI=1S/C20H17F3N2O/c1-13-10-11-14(2)25(13)16-7-5-6-15(12-16)19(26)24-18-9-4-3-8-17(18)20(21,22)23/h3-12H,1-2H3,(H,24,26)
InChIKey QPOGFEVRCCIRJU-UHFFFAOYSA-N
Molecular Weight 358.364 g/mol
SMILES N(C(C=1C=C(N2C(=CC=C2C)C)C=CC1)=O)C1=C(C(F)(F)F)C=CC=C1