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4-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-7-(thiophen-2-yl)isoxazolo[3,4-d]pyridazine
SpectraBase Compound ID Llw40xPByl0
InChI InChI=1S/C18H12N6OS/c1-11-15(21-23-24(11)12-6-3-2-4-7-12)16-13-10-25-22-17(13)18(20-19-16)14-8-5-9-26-14/h2-10H,1H3
InChIKey PTBQYWZIVWKIAT-UHFFFAOYSA-N
Mol Weight 360.4 g/mol
Molecular Formula C18H12N6OS
Exact Mass 360.07933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAIuJLPjMCk
Name 4-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-7-(thiophen-2-yl)isoxazolo[3,4-d]pyridazine
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12N6OS
InChI InChI=1S/C18H12N6OS/c1-11-15(21-23-24(11)12-6-3-2-4-7-12)16-13-10-25-22-17(13)18(20-19-16)14-8-5-9-26-14/h2-10H,1H3
InChIKey PTBQYWZIVWKIAT-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2343
Molecular Weight 360.395 g/mol
SMILES Cc1c(nn[n]1-c1ccccc1)-c1c2c(c(nn1)-c1sccc1)noc2
SPLASH splash10-004l-9800000000-dd5f71765ceea49b010d
Source of Spectrum Y-53-716-15c
Wiley ID 1877698