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2,11-Dibenzylaminonaphtho[1,2-d:4,3-d']bis(imidazo[2,1-b][1,3,4]thiadiazole)
SpectraBase Compound ID ASxSUiT1qVj
InChI InChI=1S/C28H20N8S2/c1-3-9-17(10-4-1)15-29-25-33-35-23-19-13-7-8-14-20(19)24-22(21(23)31-27(35)37-25)32-28-36(24)34-26(38-28)30-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,29,33)(H,30,34)
InChIKey JHOCKSNKYVLYMC-UHFFFAOYSA-N
Mol Weight 532.64 g/mol
Molecular Formula C28H20N8S2
Exact Mass 532.125235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93vc7B0xvJi
Name 2,11-Dibenzylaminonaphtho[1,2-d:4,3-d']bis(imidazo[2,1-b][1,3,4]thiadiazole)
Appearance Reddish brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20N8S2
InChI InChI=1S/C28H20N8S2/c1-3-9-17(10-4-1)15-29-25-33-35-23-19-13-7-8-14-20(19)24-22(21(23)31-27(35)37-25)32-28-36(24)34-26(38-28)30-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,29,33)(H,30,34)
InChIKey JHOCKSNKYVLYMC-UHFFFAOYSA-N
Instrument Name Varian MAT 311
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0008.e22
Molecular Weight 532.644 g/mol
SMILES N(C1=N[n]2c(nc3c2c2c(c4[n]5N=C(Sc5nc34)NCc3ccccc3)cccc2)S1)Cc1ccccc1
SPLASH splash10-006y-9400000000-83a84bfbc624b097e7ef
Source of Spectrum ARK-2007-240-16b
Wiley ID 1868889