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1,3-Bis((2-(4-(4-chlorophenyl)-3-phenyl-4H-pyrazolo[4,3-d]isoxazol-5(6H)-yl)-4-methylthiazol-5-yl)diazenyl)benzene
SpectraBase Compound ID BzEh7TSjSzZ
InChI InChI=1S/C46H32Cl2N12O2S2/c1-25-43(63-45(49-25)59-39(29-16-20-31(47)21-17-29)35-37(57-61-41(35)55-59)27-10-5-3-6-11-27)53-51-33-14-9-15-34(24-33)52-54-44-26(2)50-46(64-44)60-40(30-18-22-32(48)23-19-30)36-38(58-62-42(36)56-60)28-12-7-4-8-13-28/h3-24,39-40,55-56H,1-2H3
InChIKey BXGYSHJUEYSIAN-UHFFFAOYSA-N
Mol Weight 919.9 g/mol
Molecular Formula C46H32Cl2N12O2S2
Exact Mass 918.158966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jfyMslx9V1
Name 1,3-Bis((2-(4-(4-chlorophenyl)-3-phenyl-4H-pyrazolo[4,3-d]isoxazol-5(6H)-yl)-4-methylthiazol-5-yl)diazenyl)benzene
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H32Cl2N12O2S2
InChI InChI=1S/C46H32Cl2N12O2S2/c1-25-43(63-45(49-25)59-39(29-16-20-31(47)21-17-29)35-37(57-61-41(35)55-59)27-10-5-3-6-11-27)53-51-33-14-9-15-34(24-33)52-54-44-26(2)50-46(64-44)60-40(30-18-22-32(48)23-19-30)36-38(58-62-42(36)56-60)28-12-7-4-8-13-28/h3-24,39-40,55-56H,1-2H3
InChIKey BXGYSHJUEYSIAN-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2741
Molecular Weight 919.870 g/mol
SMILES N1c2c(C(N1c1sc(N=Nc3cc(N=Nc4sc(N5C(c6c(noc6N5)-c5ccccc5)c5ccc(Cl)cc5)nc4C)ccc3)c(n1)C)c1ccc(Cl)cc1)c(no2)-c1ccccc1
SPLASH splash10-001i-9020120201-238d088d906c68cf02d7
Source of Spectrum Y-54-1541-15
Wiley ID 1878271