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6-(4-Methoxyphenyl)-3-methyl-4-(naphthalen-1-yl)-5-phenyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
SpectraBase Compound ID FyO1AtKI9wf
InChI InChI=1S/C29H25N3O2/c1-19-26-27(25-14-8-10-20-9-6-7-13-24(20)25)32(22-11-4-3-5-12-22)28(30-29(26)34-31-19)21-15-17-23(33-2)18-16-21/h3-18,27-28,30H,1-2H3
InChIKey PVFQIXPLKWIUIK-UHFFFAOYSA-N
Mol Weight 447.54 g/mol
Molecular Formula C29H25N3O2
Exact Mass 447.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bG6U94XjY9
Name 6-(4-Methoxyphenyl)-3-methyl-4-(naphthalen-1-yl)-5-phenyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
Appearance Pale yellow
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N3O2
InChI InChI=1S/C29H25N3O2/c1-19-26-27(25-14-8-10-20-9-6-7-13-24(20)25)32(22-11-4-3-5-12-22)28(30-29(26)34-31-19)21-15-17-23(33-2)18-16-21/h3-18,27-28,30H,1-2H3
InChIKey PVFQIXPLKWIUIK-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 447.538 g/mol
SMILES N1C(N(C(c2c(noc12)C)c1c2ccccc2ccc1)c1ccccc1)c1ccc(OC)cc1
SPLASH splash10-004j-1901100000-ce639289da05aa825b58
Source of Spectrum Y-53-2011-16
Thin-Layer Chromatography Rf = 0.3 (pet.ether (40-60)/ethyl acetate, 1:4)
Wiley ID 1876731