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2-(5-keto-4-methyl-3-phenyl-2-isoxazolin-4-yl)-4-methyl-3-phenyl-3-isoxazolin-5-one
SpectraBase Compound ID 4TrKCDEO6Ff
InChI InChI=1S/C20H16N2O4/c1-13-16(14-9-5-3-6-10-14)22(26-18(13)23)20(2)17(21-25-19(20)24)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey JXCVXSBKKJITIQ-UHFFFAOYSA-N
Mol Weight 348.36 g/mol
Molecular Formula C20H16N2O4
Exact Mass 348.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiVMSTEWQ7M
Name 2-(5-keto-4-methyl-3-phenyl-2-isoxazolin-4-yl)-4-methyl-3-phenyl-3-isoxazolin-5-one
CAS Registry Number 75167-72-5
Comments Less than 3 mono-isotopic peaks
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Formula C20H16N2O4
InChI InChI=1S/C20H16N2O4/c1-13-16(14-9-5-3-6-10-14)22(26-18(13)23)20(2)17(21-25-19(20)24)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKey JXCVXSBKKJITIQ-UHFFFAOYSA-N
Molecular Weight 348.358 g/mol
SMILES C1(N2C(=C(C)C(O2)=O)c2ccccc2)(C(=NOC1=O)c1ccccc1)C
SPLASH splash10-014i-0902000000-a7cf2310c5dcf23d35f2
Source of Spectrum Y-17-764-0
Synonyms 4-methyl-2-(4-methyl-5-oxidanylidene-3-phenyl-1,2-oxazol-4-yl)-3-phenyl-1,2-oxazol-5-one 4-methyl-2-(4-methyl-5-oxo-3-phenyl-1,2-oxazol-4-yl)-3-phenyl-1,2-oxazol-5-one 4-methyl-2-(4-methyl-5-oxo-3-phenyl-4-isoxazolyl)-3-phenyl-5-isoxazolone 4-methyl-2-(4-methyl-5-oxo-3-phenyl-isoxazol-4-yl)-3-phenyl-isoxazol-5-one
Wiley ID 1340648