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5-Benzyl-3-methyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
SpectraBase Compound ID EXZ5WLfJ9oq
InChI InChI=1S/C13H15N3O/c1-10-12-8-16(9-14-13(12)17-15-10)7-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3
InChIKey URHMLJGNJRVYFP-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C13H15N3O
Exact Mass 229.121512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID N4yQ0Mwv9Y
Name 5-Benzyl-3-methyl-4,5,6,7-tetrahydroisoxazolo[5,4-d]pyrimidine
Appearance White crystals
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Formula C13H15N3O
InChI InChI=1S/C13H15N3O/c1-10-12-8-16(9-14-13(12)17-15-10)7-11-5-3-2-4-6-11/h2-6,14H,7-9H2,1H3
InChIKey URHMLJGNJRVYFP-UHFFFAOYSA-N
Instrument Name Kratos or a Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2521
Molecular Weight 229.283 g/mol
SMILES N1CN(Cc2c(noc12)C)Cc1ccccc1
SPLASH splash10-004i-4920000000-1e80a6ba9779ca16dffd
Source of Spectrum Y-53-2011-22
Thin-Layer Chromatography Rf = 0.3 (pet.ether (40-60)/ethyl acetate, 1:5)
Wiley ID 1876736