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6,7,13,14-tetraphenyl-1,2,4,5,8,9,11,12-octaazacyclotetradeca-1(14),5,7,12-tetraene-3,10-dithione ethanol trichlorocaesium hydrate

View entire compound with spectra: 1 MS (GC)

6,7,13,14-tetraphenyl-1,2,4,5,8,9,11,12-octaazacyclotetradeca-1(14),5,7,12-tetraene-3,10-dithione ethanol trichlorocaesium hydrate
SpectraBase Compound ID C0Txc4LfdIu
InChI InChI=1S/C30H24N8S2.C2H6O.3ClH.Cs.H2O/c39-29-35-31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-36-30(40)38-34-28(24-19-11-4-12-20-24)27(33-37-29)23-17-9-3-10-18-23;1-2-3;;;;;/h1-20H,(H2,35,37,39)(H2,36,38,40);3H,2H2,1H3;3*1H;;1H2/q;;;;;+3;/p-3
InChIKey OCAFYQOXFUZBAM-UHFFFAOYSA-K
Mol Weight 864.046 g/mol
Molecular Formula C32H32Cl3CsN8O2S2
Exact Mass 862.020975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TyKTnyjv0L
Name 6,7,13,14-tetraphenyl-1,2,4,5,8,9,11,12-octaazacyclotetradeca-1(14),5,7,12-tetraene-3,10-dithione ethanol trichlorocaesium hydrate
Appearance Brownish yellow colour
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32Cl3CsN8O2S2
InChI InChI=1S/C30H24N8S2.C2H6O.3ClH.Cs.H2O/c39-29-35-31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-36-30(40)38-34-28(24-19-11-4-12-20-24)27(33-37-29)23-17-9-3-10-18-23;1-2-3;;;;;/h1-20H,(H2,35,37,39)(H2,36,38,40);3H,2H2,1H3;3*1H;;1H2/q;;;;;+3;/p-3
InChIKey OCAFYQOXFUZBAM-UHFFFAOYSA-K
Instrument Name Shimadzu GCMs-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6689
Molecular Weight 864.046 g/mol
SMILES OCC.N1N=C(C(=NNC(NN=C(C(=NNC1=S)c1ccccc1)c1ccccc1)=S)c1ccccc1)c1ccccc1.[Cs](Cl)(Cl)Cl.O
SPLASH splash10-05fu-7642920120-46cafcc733a849364b64
Source of Spectrum AOC-36-8-Cs(III) complex
Wiley ID 1870844