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3-(1-phenyl-1H-pyrazol-4-yl)isoxazole
SpectraBase Compound ID EjvAgcphCmc
InChI InChI=1S/C12H9N3O/c1-2-4-11(5-3-1)15-9-10(8-13-15)12-6-7-16-14-12/h1-9H
InChIKey DLHQCNFXSFTHTL-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C12H9N3O
Exact Mass 211.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JRJfayzmOEe
Name 3-(1-phenyl-1H-pyrazol-4-yl)isoxazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O
InChI InChI=1S/C12H9N3O/c1-2-4-11(5-3-1)15-9-10(8-13-15)12-6-7-16-14-12/h1-9H
InChIKey DLHQCNFXSFTHTL-UHFFFAOYSA-N
Instrument Name Thermo GCMS DFS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2673
Molecular Weight 211.224 g/mol
SMILES c1(ccccc1)-[n]1ncc(c1)-c1nocc1
SPLASH splash10-014i-1920000000-43c475cbab2538344784
Source of Spectrum Y-54-1053-25
Wiley ID 1878057