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2,2',2''-(2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(oxy)tris(benzene-2,1-diyl))tris(methan-1-yl-1-ylidene)tris(hydrazinecarbothioamide)
SpectraBase Compound ID HQ1IEmhkOd3
InChI InChI=1S/C33H33N9O3S3/c34-31(46)40-37-16-25-7-1-4-10-28(25)43-19-22-13-23(20-44-29-11-5-2-8-26(29)17-38-41-32(35)47)15-24(14-22)21-45-30-12-6-3-9-27(30)18-39-42-33(36)48/h1-18H,19-21H2,(H3,34,40,46)(H3,35,41,47)(H3,36,42,48)
InChIKey AFBXVXMMUXCLJI-UHFFFAOYSA-N
Mol Weight 699.9 g/mol
Molecular Formula C33H33N9O3S3
Exact Mass 699.186849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bLVakN7StK
Name 2,2',2''-(2,2',2''-(Benzene-1,3,5-triyltris(methylene))tris(oxy)tris(benzene-2,1-diyl))tris(methan-1-yl-1-ylidene)tris(hydrazinecarbothioamide)
Appearance Pale yellow powder
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Formula C33H33N9O3S3
InChI InChI=1S/C33H33N9O3S3/c34-31(46)40-37-16-25-7-1-4-10-28(25)43-19-22-13-23(20-44-29-11-5-2-8-26(29)17-38-41-32(35)47)15-24(14-22)21-45-30-12-6-3-9-27(30)18-39-42-33(36)48/h1-18H,19-21H2,(H3,34,40,46)(H3,35,41,47)(H3,36,42,48)
InChIKey AFBXVXMMUXCLJI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2629
Molecular Weight 699.867 g/mol
SMILES N(N=Cc1c(OCc2cc(cc(COc3c(C=NNC(N)=S)cccc3)c2)COc2c(cccc2)C=NNC(N)=S)cccc1)C(N)=S
SPLASH splash10-00e9-2009004000-40feccba96b9e7ff4eed
Source of Spectrum Y-54-591-9b
Wiley ID 1877899