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

View entire compound with spectra: 1 NMR

1-(6-ACETYLAMINO-BENZOTHIAZOLE)-3-(THIOPHELIDENE)-5-(4'-NITROBENZOYL)-FORMAZAN
SpectraBase Compound ID D8D7EgtbQyD
InChI InChI=1S/C21H15N7O4S2/c1-12(29)22-14-6-9-16-18(11-14)34-21(23-16)27-25-19(17-3-2-10-33-17)24-26-20(30)13-4-7-15(8-5-13)28(31)32/h2-11H,1H3,(H,22,29)(H,26,30)/b24-19+,27-25+
InChIKey UMIDMKDCNOBCBC-NXBPLOFHSA-N
Mol Weight 493.52 g/mol
Molecular Formula C21H15N7O4S2
Exact Mass 493.062694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZLvJcyuqfO
Name 1-(6-ACETYLAMINO-BENZOTHIAZOLE)-3-(THIOPHELIDENE)-5-(4'-NITROBENZOYL)-FORMAZAN
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15N7O4S2
InChI InChI=1S/C21H15N7O4S2/c1-12(29)22-14-6-9-16-18(11-14)34-21(23-16)27-25-19(17-3-2-10-33-17)24-26-20(30)13-4-7-15(8-5-13)28(31)32/h2-11H,1H3,(H,22,29)(H,26,30)/b24-19+,27-25+
InChIKey UMIDMKDCNOBCBC-NXBPLOFHSA-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 493.515 g/mol
Sample ID 67703
Solvent CDCl3:DMSO-D6