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8-(benzyloxy)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-acetonitrile, hydrated
SpectraBase Compound ID JF8pfCGwrvz
InChI InChI=1S/4C17H12F3N3O.H2O/c4*18-17(19,20)15-13(8-9-21)23-10-4-7-14(16(23)22-15)24-11-12-5-2-1-3-6-12;/h4*1-7,10H,8,11H2;1H2
InChIKey LRJMLEAHNRKLHK-UHFFFAOYSA-N
Mol Weight 335.802 g/mol
Molecular Formula C17H12F3N3O·¼H2O
Exact Mass 335.595888 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VOAuKTdhk6
Name 8-(benzyloxy)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-acetonitrile, hydrated
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Formula C17H14F3N3O2
InChI InChI=1S/4C17H12F3N3O.H2O/c4*18-17(19,20)15-13(8-9-21)23-10-4-7-14(16(23)22-15)24-11-12-5-2-1-3-6-12;/h4*1-7,10H,8,11H2;1H2
InChIKey LRJMLEAHNRKLHK-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 49352M
Solvent Polysol