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5-Amino-4-nitro-3-(4-chlorophenyl)isoxazol
SpectraBase Compound ID DsOVcvzXgRu
InChI InChI=1S/C9H6ClN3O3/c10-6-3-1-5(2-4-6)7-8(13(14)15)9(11)16-12-7/h1-4H,11H2
InChIKey OQNFUCPFGITXCM-UHFFFAOYSA-N
Mol Weight 239.62 g/mol
Molecular Formula C9H6ClN3O3
Exact Mass 239.009769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdLn4mnq8zS
Name 3-(4-Chlorophenyl)-4-nitro-5-isoxazolamine
Alternate Name(s) 3-(4-Chlorophenyl)-4-nitro-isoxazol-5-amine 3-(4-Chlorophenyl)-4-nitro-1,2-oxazol-5-amine
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Formula C9H6ClN3O3
InChI InChI=1S/C9H6ClN3O3/c10-6-3-1-5(2-4-6)7-8(13(14)15)9(11)16-12-7/h1-4H,11H2
InChIKey OQNFUCPFGITXCM-UHFFFAOYSA-N
Molecular Weight 239.618 g/mol
SMILES Nc1onc(c1N(=O)=O)-c1ccc(cc1)Cl
SPLASH splash10-0016-9870000000-bf19870c52a3da95bd5b
Source of Spectrum D8-324-145-3
Wiley ID 1514029