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4-(3-Chlorobenzoyl)-3-methylisoxazol-5-one
SpectraBase Compound ID 5RCTFDw1L9z
InChI InChI=1S/C11H8ClNO3/c1-6-9(11(15)16-13-6)10(14)7-3-2-4-8(12)5-7/h2-5,13H,1H3
InChIKey KXGZIBXCIXJDFK-UHFFFAOYSA-N
Mol Weight 237.64 g/mol
Molecular Formula C11H8ClNO3
Exact Mass 237.019271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K25xHDDQEpq
Name 4-(3-Chlorobenzoyl)-3-methylisoxazol-5-one
Alternate Name(s) 4-(3-Chlorobenzoyl)-3-methylisoxazol-5(2H)-one 4-[(3-chlorophenyl)-oxomethyl]-3-methyl-2H-isoxazol-5-one 4-(3-Chlorobenzoyl)-3-methyl-2H-1,2-oxazol-5-one 4-(3-Chlorobenzoyl)-3-methyl-2H-isoxazol-5-one 4-(3-Chlorophenyl)carbonyl-3-methyl-2H-1,2-oxazol-5-one
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Formula C11H8ClNO3
InChI InChI=1S/C11H8ClNO3/c1-6-9(11(15)16-13-6)10(14)7-3-2-4-8(12)5-7/h2-5,13H,1H3
InChIKey KXGZIBXCIXJDFK-UHFFFAOYSA-N
Molecular Weight 237.642 g/mol
SMILES N1OC(C(=C1C)C(c1cc(Cl)ccc1)=O)=O
SPLASH splash10-000i-0900000000-0b526f7a5713e768e815
Source of Spectrum J-50-1384-7c
Wiley ID 1741092