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2-(5-(1,3-Diphenyl-1H-pyrazol-4-yl)isoxazol-3-yl)-10H-phenothiazine
SpectraBase Compound ID I3rYhO6ZDIU
InChI InChI=1S/C30H20N4OS/c1-3-9-20(10-4-1)30-23(19-34(32-30)22-11-5-2-6-12-22)27-18-25(33-35-27)21-15-16-29-26(17-21)31-24-13-7-8-14-28(24)36-29/h1-19,31H
InChIKey HWOFEYYUPPBERM-UHFFFAOYSA-N
Mol Weight 484.58 g/mol
Molecular Formula C30H20N4OS
Exact Mass 484.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aVJXVAL2Ik
Name 2-(5-(1,3-Diphenyl-1H-pyrazol-4-yl)isoxazol-3-yl)-10H-phenothiazine
Appearance Dark yellow solid
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Formula C30H20N4OS
InChI InChI=1S/C30H20N4OS/c1-3-9-20(10-4-1)30-23(19-34(32-30)22-11-5-2-6-12-22)27-18-25(33-35-27)21-15-16-29-26(17-21)31-24-13-7-8-14-28(24)36-29/h1-19,31H
InChIKey HWOFEYYUPPBERM-UHFFFAOYSA-N
Instrument Name Kratos MS equipment or Varian MAT 311A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2716
Molecular Weight 484.577 g/mol
SMILES N1c2c(Sc3c1cccc3)ccc(c2)-c1cc(-c2c(-c3ccccc3)n[n](c2)-c2ccccc2)on1
SPLASH splash10-0aba-0390100000-1eada307528c7930b1de
Source of Spectrum Y-54-1376-34
Thin-Layer Chromatography Rf = 0.40 (pet. ether (40-60)/ethyl acetate, 4:1.5)
Wiley ID 1878182