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3-Methyl-6-phenylisoxazolo[5,4-b]pyridine
SpectraBase Compound ID Ie5TPn6lTII
InChI InChI=1S/C13H10N2O/c1-9-11-7-8-12(14-13(11)16-15-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey IHEXMSRXXPGTAD-UHFFFAOYSA-N
Mol Weight 210.24 g/mol
Molecular Formula C13H10N2O
Exact Mass 210.079313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tSFOohnAMK
Name 3-Methyl-6-phenylisoxazolo[5,4-b]pyridine
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O
InChI InChI=1S/C13H10N2O/c1-9-11-7-8-12(14-13(11)16-15-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey IHEXMSRXXPGTAD-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2589
Molecular Weight 210.236 g/mol
SMILES Cc1noc2nc(ccc12)-c1ccccc1
SPLASH splash10-03di-9010000000-3c505740ace171b4b8e4
Source of Spectrum Y-54-345-8a
Thin-Layer Chromatography Rf = 0.3 (pet.ether (40-60)/ethyl acetate, 1:3)
Wiley ID 1877851