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4-(Benzo[d][1,3]dioxol-5-yl)-6-(4-methoxyphenyl)-3-methyl-5-phenyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
SpectraBase Compound ID 996c2SQ6Nbo
InChI InChI=1S/C26H23N3O4/c1-16-23-24(18-10-13-21-22(14-18)32-15-31-21)29(19-6-4-3-5-7-19)25(27-26(23)33-28-16)17-8-11-20(30-2)12-9-17/h3-14,24-25,27H,15H2,1-2H3
InChIKey AQVIRYATQZKSMI-UHFFFAOYSA-N
Mol Weight 441.49 g/mol
Molecular Formula C26H23N3O4
Exact Mass 441.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQSzGNgqMeO
Name 4-(Benzo[d][1,3]dioxol-5-yl)-6-(4-methoxyphenyl)-3-methyl-5-phenyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
Appearance Yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3O4
InChI InChI=1S/C26H23N3O4/c1-16-23-24(18-10-13-21-22(14-18)32-15-31-21)29(19-6-4-3-5-7-19)25(27-26(23)33-28-16)17-8-11-20(30-2)12-9-17/h3-14,24-25,27H,15H2,1-2H3
InChIKey AQVIRYATQZKSMI-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 441.487 g/mol
SMILES N1c2onc(c2C(N(C1c1ccc(OC)cc1)c1ccccc1)c1cc2c(cc1)OCO2)C
SPLASH splash10-000i-2900000000-94b7e8dd9057c2790b1a
Source of Spectrum Y-53-2011-17
Thin-Layer Chromatography Rf = 0.28 (pet.ether (40-60)/ethyl acetate, 1:3)
Wiley ID 1876732