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6-(4-Methoxyphenyl)-3-methyl-4,5-diphenyl-4,5,6,7-tetrahydro-isoxazolo[5,4-d]pyrimidine
SpectraBase Compound ID IgAwQFf8QJ7
InChI InChI=1S/C25H23N3O2/c1-17-22-23(18-9-5-3-6-10-18)28(20-11-7-4-8-12-20)24(26-25(22)30-27-17)19-13-15-21(29-2)16-14-19/h3-16,23-24,26H,1-2H3
InChIKey BAQSFLDYRAQQLB-UHFFFAOYSA-N
Mol Weight 397.48 g/mol
Molecular Formula C25H23N3O2
Exact Mass 397.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BWiO1XH1B8
Name 6-(4-Methoxyphenyl)-3-methyl-4,5-diphenyl-4,5,6,7-tetrahydro-isoxazolo[5,4-d]pyrimidine
Appearance Pale yellow
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N3O2
InChI InChI=1S/C25H23N3O2/c1-17-22-23(18-9-5-3-6-10-18)28(20-11-7-4-8-12-20)24(26-25(22)30-27-17)19-13-15-21(29-2)16-14-19/h3-16,23-24,26H,1-2H3
InChIKey BAQSFLDYRAQQLB-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 397.478 g/mol
SMILES N1c2onc(c2C(N(C1c1ccc(OC)cc1)c1ccccc1)c1ccccc1)C
SPLASH splash10-004j-0913000000-c103c8759dc15ce3ab32
Source of Spectrum Y-53-2010-14
Thin-Layer Chromatography Rf = 0.3 (pet.ether (40-60)/ethyl acetate, 1:4)
Wiley ID 1876729