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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 chlorogadolinium methanol 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 chlorogadolinium methanol hydrate
SpectraBase Compound ID 4fxWYNqP3vV
InChI InChI=1S/C30H24N8S2.CH4O.ClH.Gd.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;;;/h1-20H,(H2,35,37,39)(H2,36,38,40);2H,1H3;1H;;1H2/q;;;+1;/p-1
InChIKey DYHSPFCUTVJCTH-UHFFFAOYSA-M
Mol Weight 803.461 g/mol
Molecular Formula C31H30ClGdN8O2S2
Exact Mass 803.086279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrZ0UtSXves
Name 6,7,13,14-tetraphenyl-1,2,4,5,8,9,11,12-octaazacyclotetradeca-1(14),5,7,12-tetraene-3,10-dithione chlorogadolinium methanol hydrate
Appearance Brown colour
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H30ClGdN8O2S2
InChI InChI=1S/C30H24N8S2.CH4O.ClH.Gd.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;;;/h1-20H,(H2,35,37,39)(H2,36,38,40);2H,1H3;1H;;1H2/q;;;+1;/p-1
InChIKey DYHSPFCUTVJCTH-UHFFFAOYSA-M
Instrument Name Shimadzu GCMs-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6689
Molecular Weight 803.461 g/mol
SMILES OC.N1N=C(C(=NNC(NN=C(C(=NNC1=S)c1ccccc1)c1ccccc1)=S)c1ccccc1)c1ccccc1.[Gd]Cl.O
SPLASH splash10-0a4l-3834297710-5167e8799c38fc235db7
Source of Spectrum AOC-36-8-Gd(I) complex
Wiley ID 1870845