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3-(4-Chlorophenyl)methyl-4-(2-hydroxyethyl)isoxazole
SpectraBase Compound ID IJXBbp1tvd1
InChI InChI=1S/C12H12ClNO2/c13-11-3-1-9(2-4-11)7-12-10(5-6-15)8-16-14-12/h1-4,8,15H,5-7H2
InChIKey CAMQOEVWSSZAQN-UHFFFAOYSA-N
Mol Weight 237.69 g/mol
Molecular Formula C12H12ClNO2
Exact Mass 237.055656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NmVXHQ6JCL
Name 3-(4-Chlorophenyl)methyl-4-(2-hydroxyethyl)isoxazole
Alternate Name(s) 2-[3-(4-chlorobenzyl)-4-isoxazolyl]ethanol
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Formula C12H12ClNO2
InChI InChI=1S/C12H12ClNO2/c13-11-3-1-9(2-4-11)7-12-10(5-6-15)8-16-14-12/h1-4,8,15H,5-7H2
InChIKey CAMQOEVWSSZAQN-UHFFFAOYSA-N
Molecular Weight 237.686 g/mol
SMILES OCCc1c(noc1)Cc1ccc(cc1)Cl
SPLASH splash10-004i-0910000000-e25c0445cd1985a3519a
Source of Spectrum O1-60-1629-3
Wiley ID 1592164