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S-(4-NITROBENZYL)-THIOOXAL-1-HYDRAZONO-2-AMIDRAZONIUM-BROMIDE
SpectraBase Compound ID 3w6PXOtjYHq
InChI InChI=1S/C9H12N6O2S.BrH/c10-8(13-11)9(14-12)18-5-6-1-3-7(4-2-6)15(16)17;/h1-4H,5,11-12H2,(H2,10,13);1H/b14-9+;
InChIKey PISWLGWSJVJYLE-KYIGKLDSSA-N
Mol Weight 349.21 g/mol
Molecular Formula C9H13BrN6O2S
Exact Mass 348.000408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MkPSry0p9O
Name S-(4-NITROBENZYL)-THIOOXAL-1-HYDRAZONO-2-AMIDRAZONIUM-BROMIDE
Compound Number 2B
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Formula C9H13BrN6O2S
InChI InChI=1S/C9H12N6O2S.BrH/c10-8(13-11)9(14-12)18-5-6-1-3-7(4-2-6)15(16)17;/h1-4H,5,11-12H2,(H2,10,13);1H/b14-9+;
InChIKey PISWLGWSJVJYLE-KYIGKLDSSA-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 349.205 g/mol
Solvent DMSO-D6
Source File Reference UWLU7596