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3,3'-((2,2'-(5,5'-((Sulfonylbis(4,1-phenylene))bis(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 FPkmS9LWsP8
InChI InChI=1S/C42H32N10O6S3/c1-23(33-21-27-9-5-7-11-35(27)57-39(33)53)45-51-41-43-25(3)37(59-41)49-47-29-13-17-31(18-14-29)61(55,56)32-19-15-30(16-20-32)48-50-38-26(4)44-42(60-38)52-46-24(2)34-22-28-10-6-8-12-36(28)58-40(34)54/h5-22H,1-4H3,(H,43,51)(H,44,52)
InChIKey HMCZMMBQSLBTSU-UHFFFAOYSA-N
Mol Weight 869.0 g/mol
Molecular Formula C42H32N10O6S3
Exact Mass 868.166842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KXXzO8xoQR
Name 3,3'-((2,2'-(5,5'-((Sulfonylbis(4,1-phenylene))bis(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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H32N10O6S3
InChI InChI=1S/C42H32N10O6S3/c1-23(33-21-27-9-5-7-11-35(27)57-39(33)53)45-51-41-43-25(3)37(59-41)49-47-29-13-17-31(18-14-29)61(55,56)32-19-15-30(16-20-32)48-50-38-26(4)44-42(60-38)52-46-24(2)34-22-28-10-6-8-12-36(28)58-40(34)54/h5-22H,1-4H3,(H,43,51)(H,44,52)
InChIKey HMCZMMBQSLBTSU-UHFFFAOYSA-N
Instrument Name Shimadzu GCeMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2741
Molecular Weight 868.962 g/mol
SMILES N(N=C(C=1C(Oc2c(cccc2)C1)=O)C)c1sc(N=Nc2ccc(S(c3ccc(N=Nc4sc(nc4C)NN=C(C)C4=Cc5c(cccc5)OC4=O)cc3)(=O)=O)cc2)c(n1)C
SPLASH splash10-0il1-9003301010-1c8363a0da9efdadebbc
Source of Spectrum Y-54-1541-17
Wiley ID 1878272