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S-(4-NITROBENZYL)-THIOOXAL-1-(2-PHENYLHYDRAZONO)-2-(2-PHENYLAMIDRAZONIUM)-BROMIDE
SpectraBase Compound ID E7OYEDlCo0j
InChI InChI=1S/C21H20N6O2S.BrH/c22-20(25-23-17-7-3-1-4-8-17)21(26-24-18-9-5-2-6-10-18)30-15-16-11-13-19(14-12-16)27(28)29;/h1-14,23-24H,15H2,(H2,22,25);1H/b26-21+;
InChIKey YGNPTKQDJCUFSE-HCPJHKKFSA-N
Mol Weight 501.4 g/mol
Molecular Formula C21H21BrN6O2S
Exact Mass 500.063008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRf0G5ZX1hr
Name S-(4-NITROBENZYL)-THIOOXAL-1-(2-PHENYLHYDRAZONO)-2-(2-PHENYLAMIDRAZONIUM)-BROMIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21BrN6O2S
InChI InChI=1S/C21H20N6O2S.BrH/c22-20(25-23-17-7-3-1-4-8-17)21(26-24-18-9-5-2-6-10-18)30-15-16-11-13-19(14-12-16)27(28)29;/h1-14,23-24H,15H2,(H2,22,25);1H/b26-21+;
InChIKey YGNPTKQDJCUFSE-HCPJHKKFSA-N
Literature Reference Author K.MARTENS,A.SCHEUNEMANN,K.DREXLER,H.DEHNE,H.REINKE,M.MICHALI K
Literature Reference Citation MOLECULES,6,540(2001)
Literature Reference DOI 10.3390/60600540
Molecular Weight 501.401 g/mol
Solvent DMSO-D6
Source File Reference UWLU7602