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3-(4-Chlorophenyl)-7-(phenylmethyl)-4,7a-dihydro-3aH-isoxazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester
SpectraBase Compound ID IixEKV54NhE
InChI InChI=1S/C22H21ClN2O3/c1-2-27-22(26)17-12-19-20(16-8-10-18(23)11-9-16)24-28-21(19)25(14-17)13-15-6-4-3-5-7-15/h3-11,14,19,21H,2,12-13H2,1H3
InChIKey IDPPECWXGYLOCA-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C22H21ClN2O3
Exact Mass 396.12407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4isGN7vh1TN
Name 3-(4-Chlorophenyl)-7-(phenylmethyl)-4,7a-dihydro-3aH-isoxazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester
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Formula C22H21ClN2O3
InChI InChI=1S/C22H21ClN2O3/c1-2-27-22(26)17-12-19-20(16-8-10-18(23)11-9-16)24-28-21(19)25(14-17)13-15-6-4-3-5-7-15/h3-11,14,19,21H,2,12-13H2,1H3
InChIKey IDPPECWXGYLOCA-UHFFFAOYSA-N
Molecular Weight 396.874 g/mol
SMILES C12C(N(Cc3ccccc3)C=C(C1)C(=O)OCC)ON=C2c1ccc(cc1)Cl
SPLASH splash10-0006-7094000000-1d25c57b59bc6cc5427c
Source of Spectrum KC-1992-2036-10
Synonyms 7-Benzyl-3-(4-chlorophenyl)-4,7a-dihydro-3aH-isoxazolo[5,4-b]pyridine-5-carboxylic acid ethyl ester Ethyl 3-(4-chlorophenyl)-7-(phenylmethyl)-4,7a-dihydro-3aH-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate Ethyl 7-benzyl-3-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoxazolo[5,4-b]pyridine-5-carboxylate Ethyl 7-benzyl-3-(4-chlorophenyl)-4,7a-dihydro-3aH-isoxazolo[5,4-b]pyridine-5-carboxylate Ethyl 7-benzyl-3-(4-chlorophenyl)-4,7a-dihydro-3aH-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
Wiley ID 776720