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4-Isoxazolecarboxylic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-phenyl-, methyl ester
SpectraBase Compound ID CbFAg9Qqnc7
InChI InChI=1S/C17H14ClNO3/c1-21-17(20)15-11-22-19(14-9-7-13(18)8-10-14)16(15)12-5-3-2-4-6-12/h2-11,16H,1H3
InChIKey FRORTYHTGUWDBY-UHFFFAOYSA-N
Mol Weight 315.76 g/mol
Molecular Formula C17H14ClNO3
Exact Mass 315.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e75lbS4s8V
Name 4-Isoxazolecarboxylic acid, 2-(4-chlorophenyl)-2,3-dihydro-3-phenyl-, methyl ester
Alternate Name(s) Methyl 2-(4-chlorophenyl)-3-phenyl-2,3-dihydro-4-isoxazolecarboxylate 2-(4-Chlorophenyl)-3-phenyl-3H-isoxazole-4-carboxylic acid methyl ester 2-(4-Chlorophenyl)-3-phenyl-4-isoxazoline-4-carboxylic acid methyl ester Methyl 2-(4-chlorophenyl)-3-phenyl-3H-1,2-oxazole-4-carboxylate Methyl 2-(4-chlorophenyl)-3-phenyl-3H-isoxazole-4-carboxylate
CAS Registry Number 117644-88-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClNO3
InChI InChI=1S/C17H14ClNO3/c1-21-17(20)15-11-22-19(14-9-7-13(18)8-10-14)16(15)12-5-3-2-4-6-12/h2-11,16H,1H3
InChIKey FRORTYHTGUWDBY-UHFFFAOYSA-N
Molecular Weight 315.756 g/mol
SMILES COC(C1=CON(c2ccc(cc2)Cl)C1c1ccccc1)=O
SPLASH splash10-0aou-3791000000-689c4e2420a11cd547b7
Source of Spectrum F-44-1252-12
Wiley ID 1315938