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4-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-7-phenylisoxazolo[3,4-d]pyridazine
SpectraBase Compound ID 3dtuLpEEsPv
InChI InChI=1S/C20H14N6O/c1-13-17(23-25-26(13)15-10-6-3-7-11-15)19-16-12-27-24-20(16)18(21-22-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKey BQJCRHAVBCLSIB-UHFFFAOYSA-N
Mol Weight 354.37 g/mol
Molecular Formula C20H14N6O
Exact Mass 354.122909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4md2tBh7IG
Name 4-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-7-phenylisoxazolo[3,4-d]pyridazine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N6O
InChI InChI=1S/C20H14N6O/c1-13-17(23-25-26(13)15-10-6-3-7-11-15)19-16-12-27-24-20(16)18(21-22-19)14-8-4-2-5-9-14/h2-12H,1H3
InChIKey BQJCRHAVBCLSIB-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2343
Molecular Weight 354.373 g/mol
SMILES Cc1c(nn[n]1-c1ccccc1)-c1c2c(c(nn1)-c1ccccc1)noc2
SPLASH splash10-0f92-0917000000-4274c88d076a4c678bbd
Source of Spectrum Y-53-716-15a
Wiley ID 1877697