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6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13,13'-(1,2-ethanediyl)bis-
SpectraBase Compound ID BMVahPjCZZd
InChI InChI=1S/C30H24N2S4/c1-5-13-23-19(9-1)27-31(28(33-23)20-10-2-6-14-24(20)34-27)17-18-32-29-21-11-3-7-15-25(21)35-30(32)22-12-4-8-16-26(22)36-29/h1-16,27-30H,17-18H2/t27-,28-,29-,30-/m0/s1
InChIKey YBAJXCIZKQBEJL-KRCBVYEFSA-N
Mol Weight 540.8 g/mol
Molecular Formula C30H24N2S4
Exact Mass 540.082233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2jH2hLNnPN
Name 6H,12H-Dibenzo[b,f][1,5]dithiocin-6,12-imine, 13,13'-(1,2-ethanediyl)bis-
CAS Registry Number 60697-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24N2S4
InChI InChI=1S/C30H24N2S4/c1-5-13-23-19(9-1)27-31(28(33-23)20-10-2-6-14-24(20)34-27)17-18-32-29-21-11-3-7-15-25(21)35-30(32)22-12-4-8-16-26(22)36-29/h1-16,27-30H,17-18H2/t27-,28-,29-,30-/m0/s1
InChIKey YBAJXCIZKQBEJL-KRCBVYEFSA-N
Molecular Weight 540.776 g/mol
SMILES [C@]12(N([C@](c3c(S2)cccc3)(Sc2ccccc12)[H])CCN1[C@]2(Sc3c([C@@]1(Sc1ccccc21)[H])cccc3)[H])[H]
SPLASH splash10-007p-0970050000-0710c9f8fd317aaae531
Source of Spectrum B-29-1425-0
Synonyms 17-[2-(8,16-dithia-17-azatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaen-17-yl)ethyl]-8,16-dithia-17-azatetracyclo[7.7.1.0(2,7).0(10,15)]heptadeca-2,4,6,10,12,14-hexaene N,N'-ethylenebis(6,12-imino-6H,12H-dibenzo[b,f][1,5]dithiocin)
Wiley ID 1404637