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3-(2-Thienyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
SpectraBase Compound ID 6XcAEDMqYqX
InChI InChI=1S/C17H15N3OS/c1-2-6-12(7-3-1)16-14(17-18-9-5-10-19-17)15(20-21-16)13-8-4-11-22-13/h1-4,6-8,11H,5,9-10H2,(H,18,19)
InChIKey YFYHKXWSLKARLQ-UHFFFAOYSA-N
Mol Weight 309.39 g/mol
Molecular Formula C17H15N3OS
Exact Mass 309.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XdkTGfeOKK
Name 3-(2-Thienyl)-5-phenyl-4-(pyrimidin-2-yl)isoxazole
Comments Less than 3 mono-isotopic peaks
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Formula C17H15N3OS
InChI InChI=1S/C17H15N3OS/c1-2-6-12(7-3-1)16-14(17-18-9-5-10-19-17)15(20-21-16)13-8-4-11-22-13/h1-4,6-8,11H,5,9-10H2,(H,18,19)
InChIKey YFYHKXWSLKARLQ-UHFFFAOYSA-N
Molecular Weight 309.387 g/mol
SMILES N1CCCN=C1c1c(noc1-c1ccccc1)-c1sccc1
SPLASH splash10-0a4i-0009000000-f74de3084c77a62cb0c9
Source of Spectrum CV-0-332-5
Synonyms 3-(2-Thienyl)-5-phenyl-4-(1,4,5,6-tetrahydro-pyrimidin-2-yl)isoxazole
Wiley ID 849038