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2,2',2'',2'''-(4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy)-tetrakis(benzene-4,1-diyl))tetrakis(methan-1-ylidene)tetrakis(hydrazinecarbo-thioamide)
SpectraBase Compound ID EFIhRQYfSr1
InChI InChI=1S/C42H42N12O4S4/c43-39(59)51-47-19-27-1-9-35(10-2-27)55-23-31-17-33(25-57-37-13-5-29(6-14-37)21-49-53-41(45)61)34(26-58-38-15-7-30(8-16-38)22-50-54-42(46)62)18-32(31)24-56-36-11-3-28(4-12-36)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 UXRNPFZXESHFTC-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 C2vZtwprmaZ
Name 2,2',2'',2'''-(4,4',4'',4'''-(Benzene-1,2,4,5-tetrayltetrakis(methylene))tetrakis(oxy)-tetrakis(benzene-4,1-diyl))tetrakis(methan-1-ylidene)tetrakis(hydrazinecarbo-thioamide)
Appearance Pale yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H42N12O4S4
InChI InChI=1S/C42H42N12O4S4/c43-39(59)51-47-19-27-1-9-35(10-2-27)55-23-31-17-33(25-57-37-13-5-29(6-14-37)21-49-53-41(45)61)34(26-58-38-15-7-30(8-16-38)22-50-54-42(46)62)18-32(31)24-56-36-11-3-28(4-12-36)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 UXRNPFZXESHFTC-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=Cc1ccc(OCc2c(cc(COc3ccc(C=NNC(N)=S)cc3)c(c2)COc2ccc(cc2)C=NNC(N)=S)COc2ccc(cc2)C=NNC(N)=S)cc1)C(S)=N
SPLASH splash10-014i-0000100091-152e139647670169b28d
Source of Spectrum Y-54-591-14a
Wiley ID 1877893