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5-[(2-Chloro-phenyl)-hydroxy-methyl]-3-(4-methoxy-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid methyl ester
SpectraBase Compound ID CrNF9Jrqqeb
InChI InChI=1S/C19H18ClNO5/c1-24-13-9-7-12(8-10-13)16-11-19(26-21-16,18(23)25-2)17(22)14-5-3-4-6-15(14)20/h3-10,17,22H,11H2,1-2H3
InChIKey FYJZVBGYHUFGNE-UHFFFAOYSA-N
Mol Weight 375.81 g/mol
Molecular Formula C19H18ClNO5
Exact Mass 375.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dmcO3Vr6Xa
Name 5-[(2-Chloro-phenyl)-hydroxy-methyl]-3-(4-methoxy-phenyl)-4,5-dihydro-isoxazole-5-carboxylic acid methyl ester
Alternate Name(s) Methyl 5-(.alpha.-hydroxy-2-chlorobenzyl)-3-(4-methoxyphenyl)-3,4-dihydro-1H-[1,2]-oxazole-5-carboxylate methyl 5-[(2-chlorophenyl)(hydroxy)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-5-isoxazolecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H18ClNO5
InChI InChI=1S/C19H18ClNO5/c1-24-13-9-7-12(8-10-13)16-11-19(26-21-16,18(23)25-2)17(22)14-5-3-4-6-15(14)20/h3-10,17,22H,11H2,1-2H3
InChIKey FYJZVBGYHUFGNE-UHFFFAOYSA-N
Molecular Weight 375.808 g/mol
SMILES OC(C1(ON=C(C1)c1ccc(cc1)OC)C(=O)OC)c1c(Cl)cccc1
SPLASH splash10-004i-0009000000-a42d2d0c62cdd5ce0539
Source of Spectrum Y1-45-7350-5
Wiley ID 1622152