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3,3'-(2,2'-(5,5'-(1,3-Phenylenebis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(indolin-2-one)
SpectraBase Compound ID BpQ6ybvULlP
InChI InChI=1S/C30H22N12O2S2/c1-15-27(45-29(31-15)41-37-23-19-10-3-5-12-21(19)33-25(23)43)39-35-17-8-7-9-18(14-17)36-40-28-16(2)32-30(46-28)42-38-24-20-11-4-6-13-22(20)34-26(24)44/h3-14H,1-2H3,(H,31,41)(H,32,42)(H,33,37,43)(H,34,38,44)
InChIKey SBIMFKSITSZAGG-UHFFFAOYSA-N
Mol Weight 646.71 g/mol
Molecular Formula C30H22N12O2S2
Exact Mass 646.14301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hi8S1VBqZLx
Name 3,3'-(2,2'-(5,5'-(1,3-Phenylenebis(diazene-2,1-diyl))bis(4-methylthiazole-5,2-diyl))bis(hydrazin-2-yl-1-ylidene))bis(indolin-2-one)
Appearance Red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22N12O2S2
InChI InChI=1S/C30H22N12O2S2/c1-15-27(45-29(31-15)41-37-23-19-10-3-5-12-21(19)33-25(23)43)39-35-17-8-7-9-18(14-17)36-40-28-16(2)32-30(46-28)42-38-24-20-11-4-6-13-22(20)34-26(24)44/h3-14H,1-2H3,(H,31,41)(H,32,42)(H,33,37,43)(H,34,38,44)
InChIKey SBIMFKSITSZAGG-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2741
Molecular Weight 646.708 g/mol
SMILES N(c1sc(N=Nc2cc(N=Nc3c(nc(s3)NN=C3C(Nc4c3cccc4)=O)C)ccc2)c(n1)C)N=C1c2c(cccc2)NC1=O
SPLASH splash10-03di-9060421000-9fb18151c9be0b31e6ab
Source of Spectrum Y-54-1541-14
Wiley ID 1878270