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3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
SpectraBase Compound ID 1HFyNraC1pB
InChI InChI=1S/C22H19Cl2NO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey MBOZZFMSSLYWKO-UHFFFAOYSA-N
Mol Weight 448.3 g/mol
Molecular Formula C22H19Cl2NO5
Exact Mass 447.064028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fj92VQQznHZ
Name 2-Methoxy-4-(3-oxobutyl)phenyl 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl2NO5
InChI InChI=1S/C22H19Cl2NO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3
InChIKey MBOZZFMSSLYWKO-UHFFFAOYSA-N
Molecular Weight 448.302 g/mol
SMILES c1(c(C(Oc2c(cc(cc2)CCC(=O)C)OC)=O)c(C)on1)-c1c(Cl)cccc1Cl
SPLASH splash10-03dl-6390100000-a5a5fea81d5c07bf5f77
Synonyms 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid[2-methoxy-4-(3-oxobutyl)phenyl]ester 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylic acid[4-(3-ketobutyl)-2-methoxy-phenyl]ester Isoxazole-4-carboxilic acid,3-(2,6-dichlorophenyl)-5-methyl, [2-methoxy-4-(3-oxobutyl)phenyl]ester- [2-methoxy-4-(3-oxidanylidenebutyl)phenyl]3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxylate [2-methoxy-4-(3-oxobutyl)phenyl]3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate [2-methoxy-4-(3-oxobutyl)phenyl]3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylate 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester [2-methoxy-4-(3-oxobutyl)phenyl] 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate [2-methoxy-4-(3-oxobutyl)phenyl] 3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxylate [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazole-4-carboxylate
Wiley ID 1443429