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Benzyl 5-butyl-3-(4-chlorophenyl)isoxazole-2(3H)-carboxylate
SpectraBase Compound ID DwWZuqPdmX4
InChI InChI=1S/C21H22ClNO3/c1-2-3-9-19-14-20(17-10-12-18(22)13-11-17)23(26-19)21(24)25-15-16-7-5-4-6-8-16/h4-8,10-14,20H,2-3,9,15H2,1H3
InChIKey HBCZTBMKAWLPIX-UHFFFAOYSA-N
Mol Weight 371.86 g/mol
Molecular Formula C21H22ClNO3
Exact Mass 371.128821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jzBWKMFHfT
Name Benzyl 5-butyl-3-(4-chlorophenyl)isoxazole-2(3H)-carboxylate
Alternate Name(s) 5-Butyl-3-(4-chlorophenyl)-3H-isoxazole-2-carboxylic acid (phenylmethyl) ester Benzyl 5-butyl-3-(4-chlorophenyl)-3H-1,2-oxazole-2-carboxylate Benzyl 5-butyl-3-(4-chlorophenyl)-3H-isoxazole-2-carboxylate (phenylmethyl) 5-butyl-3-(4-chlorophenyl)-3H-1,2-oxazole-2-carboxylate
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Formula C21H22ClNO3
InChI InChI=1S/C21H22ClNO3/c1-2-3-9-19-14-20(17-10-12-18(22)13-11-17)23(26-19)21(24)25-15-16-7-5-4-6-8-16/h4-8,10-14,20H,2-3,9,15H2,1H3
InChIKey HBCZTBMKAWLPIX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200900127
Molecular Weight 371.864 g/mol
SMILES C(N1OC(=CC1c1ccc(cc1)Cl)CCCC)(OCc1ccccc1)=O
SPLASH splash10-000f-9351000000-fc85a95d4079e9e4077c
Source of Spectrum ASC-351-1996-4bb
Wiley ID 1763272