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5-methyl-3-phenyl-4-isoxazolecarboxylic acid, 2-methoxy-4-(3-oxobutyl)phenyl ester
SpectraBase Compound ID IZrkLVlvDue
InChI InChI=1S/C22H21NO5/c1-14(24)9-10-16-11-12-18(19(13-16)26-3)27-22(25)20-15(2)28-23-21(20)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3
InChIKey DNYQADRHUUUINC-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C22H21NO5
Exact Mass 379.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gz9k8mW7Eam
Name Isoxazole-4-carboxylic acid, 3-phenyl-5-methyl-, [2-methoxy-4-(3-oxobutyl)phenyl] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5
InChI InChI=1S/C22H21NO5/c1-14(24)9-10-16-11-12-18(19(13-16)26-3)27-22(25)20-15(2)28-23-21(20)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3
InChIKey DNYQADRHUUUINC-UHFFFAOYSA-N
Molecular Weight 379.412 g/mol
SMILES c1(C(Oc2c(cc(CCC(=O)C)cc2)OC)=O)c(noc1C)-c1ccccc1
SPLASH splash10-0006-3901000000-1d7d6e8e6f9ebdfaad87
Source of Spectrum AD-0-2532-0
Synonyms 2-Methoxy-4-(3-oxobutyl)phenyl 5-methyl-3-phenyl-4-isoxazolecarboxylate 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester [2-methoxy-4-(3-oxobutyl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate [2-methoxy-4-(3-oxobutyl)phenyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
Wiley ID 1426471