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3,3'-((2,2'-(5,5'-(1,3-Bhenylenebis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(ethan-1-yl-1-ylidene))bis(2H-chromen-2-one)
SpectraBase Compound ID DL9EK01PtbQ
InChI InChI=1S/C36H28N10O4S2/c1-19(27-16-23-10-5-7-14-29(23)49-33(27)47)39-45-35-37-21(3)31(51-35)43-41-25-12-9-13-26(18-25)42-44-32-22(4)38-36(52-32)46-40-20(2)28-17-24-11-6-8-15-30(24)50-34(28)48/h5-18H,1-4H3,(H,37,45)(H,38,46)
InChIKey DHXOVYOGKDXDDM-UHFFFAOYSA-N
Mol Weight 728.8 g/mol
Molecular Formula C36H28N10O4S2
Exact Mass 728.173642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11MNFXLiU03
Name 3,3'-((2,2'-(5,5'-(1,3-Bhenylenebis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(ethan-1-yl-1-ylidene))bis(2H-chromen-2-one)
Appearance Red solid
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Formula C36H28N10O4S2
InChI InChI=1S/C36H28N10O4S2/c1-19(27-16-23-10-5-7-14-29(23)49-33(27)47)39-45-35-37-21(3)31(51-35)43-41-25-12-9-13-26(18-25)42-44-32-22(4)38-36(52-32)46-40-20(2)28-17-24-11-6-8-15-30(24)50-34(28)48/h5-18H,1-4H3,(H,37,45)(H,38,46)
InChIKey DHXOVYOGKDXDDM-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2741
Molecular Weight 728.806 g/mol
SMILES N(N=C(C=1C(Oc2ccccc2C1)=O)C)c1nc(c(N=Nc2cc(N=Nc3c(nc(s3)NN=C(C=3C(=O)Oc4c(cccc4)C3)C)C)ccc2)s1)C
SPLASH splash10-01si-9020000000-e10dd2d493ba6f7aebb2
Source of Spectrum Y-54-1540-6
Wiley ID 1878279