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5,11-Dichloro-2,8-diallylaminobenzo[2,3-d:6,5-d']bis(imidazo[2,1-b][1,3,4]thiadiazole)
SpectraBase Compound ID SOpuGjGS9t
InChI InChI=1S/C16H12Cl2N8S2/c1-3-5-19-13-23-25-11-8(18)12-10(7(17)9(11)21-15(25)27-13)22-16-26(12)24-14(28-16)20-6-4-2/h3-4H,1-2,5-6H2,(H,19,23)(H,20,24)
InChIKey LKWMRCYIZYBDNY-UHFFFAOYSA-N
Mol Weight 451.35 g/mol
Molecular Formula C16H12Cl2N8S2
Exact Mass 450.00034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AxCL7527nr
Name 5,11-Dichloro-2,8-diallylaminobenzo[2,3-d:6,5-d']bis(imidazo[2,1-b][1,3,4]thiadiazole)
Appearance Blue crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl2N8S2
InChI InChI=1S/C16H12Cl2N8S2/c1-3-5-19-13-23-25-11-8(18)12-10(7(17)9(11)21-15(25)27-13)22-16-26(12)24-14(28-16)20-6-4-2/h3-4H,1-2,5-6H2,(H,19,23)(H,20,24)
InChIKey LKWMRCYIZYBDNY-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.e22
Molecular Weight 451.354 g/mol
SMILES N(C1=N[n]2c(nc3c2c(c2[n]4N=C(Sc4nc2c3Cl)NCC=C)Cl)S1)CC=C
SPLASH splash10-0f6y-9211200000-061a16665e2fec160333
Source of Spectrum ARK-2007-238-10c
Wiley ID 1868884