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1-(6-METHYL-BENZOTHIAZOLE)-3-(THIOPHELIDENE)-5-(4'-NITROBENZOYL)-FORMAZAN

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1-(6-METHYL-BENZOTHIAZOLE)-3-(THIOPHELIDENE)-5-(4'-NITROBENZOYL)-FORMAZAN
SpectraBase Compound ID 9MavCPJerCh
InChI InChI=1S/C20H14N6O3S2/c1-12-4-9-15-17(11-12)31-20(21-15)25-23-18(16-3-2-10-30-16)22-24-19(27)13-5-7-14(8-6-13)26(28)29/h2-11H,1H3,(H,24,27)/b22-18+,25-23+
InChIKey NUFGVDNLLBAJCB-CNDXUAGCSA-N
Mol Weight 450.49 g/mol
Molecular Formula C20H14N6O3S2
Exact Mass 450.056881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kchNADKTLf
Name 1-(6-METHYL-BENZOTHIAZOLE)-3-(THIOPHELIDENE)-5-(4'-NITROBENZOYL)-FORMAZAN
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14N6O3S2
InChI InChI=1S/C20H14N6O3S2/c1-12-4-9-15-17(11-12)31-20(21-15)25-23-18(16-3-2-10-30-16)22-24-19(27)13-5-7-14(8-6-13)26(28)29/h2-11H,1H3,(H,24,27)/b22-18+,25-23+
InChIKey NUFGVDNLLBAJCB-CNDXUAGCSA-N
Literature Reference Author K.G.DESAI,K.R.DESAI
Literature Reference Citation J.HETCYCL.CHEM.,43,1083(2006)
Literature Reference DOI 10.1002/jhet.5570430440
Molecular Weight 450.490 g/mol
Sample ID 67699
Solvent CDCl3:DMSO-D6