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3-(2-Pyridinyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
SpectraBase Compound ID GXQYk4Cc79X
InChI InChI=1S/C18H16N4O/c1-2-7-13(8-3-1)17-15(18-20-11-6-12-21-18)16(22-23-17)14-9-4-5-10-19-14/h1-5,7-10H,6,11-12H2,(H,20,21)
InChIKey KWJFERJGULNGET-UHFFFAOYSA-N
Mol Weight 304.35 g/mol
Molecular Formula C18H16N4O
Exact Mass 304.132411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPX0cf6MMCz
Name 3-(2-Pyridinyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C18H16N4O
InChI InChI=1S/C18H16N4O/c1-2-7-13(8-3-1)17-15(18-20-11-6-12-21-18)16(22-23-17)14-9-4-5-10-19-14/h1-5,7-10H,6,11-12H2,(H,20,21)
InChIKey KWJFERJGULNGET-UHFFFAOYSA-N
Molecular Weight 304.353 g/mol
SMILES N1CCCN=C1c1c(noc1-c1ccccc1)-c1ncccc1
SPLASH splash10-0udi-0029000000-5d6227cb4c8caeb1742f
Source of Spectrum CV-0-332-5
Synonyms 3-(2-Pyridinyl)-5-phenyl-4-(1,4,5,6-tetrahydro-pyrimidin-2-yl)isoxazole
Wiley ID 849037