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4-Isoxazolecarboxylic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-phenyl-, ethyl ester
SpectraBase Compound ID XPvL6Y43of
InChI InChI=1S/C18H16ClNO3/c1-2-22-18(21)16-12-23-20(15-10-8-14(19)9-11-15)17(16)13-6-4-3-5-7-13/h3-12,17H,2H2,1H3
InChIKey JEVSYTGQBXIFLI-UHFFFAOYSA-N
Mol Weight 329.78 g/mol
Molecular Formula C18H16ClNO3
Exact Mass 329.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jzh8HstA1lm
Name 4-Isoxazolecarboxylic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-phenyl-, ethyl ester
Alternate Name(s) Ethyl 2-(4-chlorophenyl)-3-phenyl-2,3-dihydro-4-isoxazolecarboxylate 2-(4-Chlorophenyl)-3-phenyl-3H-isoxazole-4-carboxylic acid ethyl ester 2-(4-Chlorophenyl)-3-phenyl-4-isoxazoline-4-carboxylic acid ethyl ester Ethyl 2-(4-chlorophenyl)-3-phenyl-3H-1,2-oxazole-4-carboxylate Ethyl 2-(4-chlorophenyl)-3-phenyl-3H-isoxazole-4-carboxylate
CAS Registry Number 117644-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO3
InChI InChI=1S/C18H16ClNO3/c1-2-22-18(21)16-12-23-20(15-10-8-14(19)9-11-15)17(16)13-6-4-3-5-7-13/h3-12,17H,2H2,1H3
InChIKey JEVSYTGQBXIFLI-UHFFFAOYSA-N
Molecular Weight 329.783 g/mol
SMILES CCOC(C1=CON(c2ccc(cc2)Cl)C1c1ccccc1)=O
SPLASH splash10-0a6r-2792000000-e7e876226b4862ea633f
Source of Spectrum F-44-1252-13
Wiley ID 1327075