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2,2',2'',2'''-(2,2',2'',2'''-(Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy)tetrakis(benzene-2,1-diyl))tetrakis(methan-1-ylidene)tetrakis(hydrazine-carbothioamide)
SpectraBase Compound ID HBwwCj48dU
InChI InChI=1S/C42H42N12O4S4/c43-39(59)51-47-19-27-9-1-5-13-35(27)55-23-31-17-33(25-57-37-15-7-3-11-29(37)21-49-53-41(45)61)34(26-58-38-16-8-4-12-30(38)22-50-54-42(46)62)18-32(31)24-56-36-14-6-2-10-28(36)20-48-52-40(44)60/h1-22H,23-26H2,(H3,43,51,59)(H3,44,52,60)(H3,45,53,61)(H3,46,54,62)
InChIKey SYISDXAWQXTMAR-UHFFFAOYSA-N
Mol Weight 907.1 g/mol
Molecular Formula C42H42N12O4S4
Exact Mass 906.233483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmCxx2PzPl3
Name 2,2',2'',2'''-(2,2',2'',2'''-(Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy)tetrakis(benzene-2,1-diyl))tetrakis(methan-1-ylidene)tetrakis(hydrazine-carbothioamide)
Appearance Pale yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H42N12O4S4
InChI InChI=1S/C42H42N12O4S4/c43-39(59)51-47-19-27-9-1-5-13-35(27)55-23-31-17-33(25-57-37-15-7-3-11-29(37)21-49-53-41(45)61)34(26-58-38-16-8-4-12-30(38)22-50-54-42(46)62)18-32(31)24-56-36-14-6-2-10-28(36)20-48-52-40(44)60/h1-22H,23-26H2,(H3,43,51,59)(H3,44,52,60)(H3,45,53,61)(H3,46,54,62)
InChIKey SYISDXAWQXTMAR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2629
Molecular Weight 907.118 g/mol
SMILES N(N=Cc1ccccc1OCc1c(cc(COc2c(C=NNC(N)=S)cccc2)c(c1)COc1c(cccc1)C=NNC(N)=S)COc1c(cccc1)C=NNC(N)=S)C(=S)N
SPLASH splash10-03di-0000100090-71d8b118e71749be2d77
Source of Spectrum Y-54-591-14b
Wiley ID 1877894