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N-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-3,6-dimethylisoxazolo[5,4-b]pyridine-5-carboxamide
SpectraBase Compound ID KTs2N2mUyvA
InChI InChI=1S/C21H16ClN3O3/c1-11-17(20(27)24-15-9-5-4-8-14(15)22)19(13-7-3-6-10-16(13)26)18-12(2)25-28-21(18)23-11/h3-10,26H,1-2H3,(H,24,27)
InChIKey WTGGYVKBQJUFJO-UHFFFAOYSA-N
Mol Weight 393.83 g/mol
Molecular Formula C21H16ClN3O3
Exact Mass 393.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JppTPdKDcaI
Name N-(2-Chlorophenyl)-4-(2-hydroxyphenyl)-3,6-dimethylisoxazolo[5,4-b]pyridine-5-carboxamide
Appearance Yellow solid
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Formula C21H16ClN3O3
InChI InChI=1S/C21H16ClN3O3/c1-11-17(20(27)24-15-9-5-4-8-14(15)22)19(13-7-3-6-10-16(13)26)18-12(2)25-28-21(18)23-11/h3-10,26H,1-2H3,(H,24,27)
InChIKey WTGGYVKBQJUFJO-UHFFFAOYSA-N
Instrument Name GC-MS Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.320
Molecular Weight 393.830 g/mol
SMILES Oc1ccccc1-c1c(C(=O)Nc2ccccc2Cl)c(nc2c1c(no2)C)C
SPLASH splash10-00or-0982000000-936b0fc69977c00f537a
Source of Spectrum BJO-10-SM8-9e
Wiley ID 1854088