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4-AMINO-2-BENZOYLMETHYL-1,3-DITHIINE-6-IMINIUM_PERCHLORATE
SpectraBase Compound ID 8RuLRXbmD8V
InChI InChI=1S/C12H12N2OS2.ClHO4/c13-10-7-11(14)17-12(16-10)6-9(15)8-4-2-1-3-5-8;2-1(3,4)5/h1-5,7,12-13H,6,14H2;(H,2,3,4,5)
InChIKey QPGJHECESQXNIF-UHFFFAOYSA-N
Mol Weight 364.82 g/mol
Molecular Formula C12H13ClN2O5S2
Exact Mass 363.995442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVHb7ZWX5oQ
Name 4-AMINO-2-BENZOYLMETHYL-1,3-DITHIINE-6-IMINIUM_PERCHLORATE
Compound Number V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClN2O5S2
InChI InChI=1S/C12H12N2OS2.ClHO4/c13-10-7-11(14)17-12(16-10)6-9(15)8-4-2-1-3-5-8;2-1(3,4)5/h1-5,7,12-13H,6,14H2;(H,2,3,4,5)
InChIKey QPGJHECESQXNIF-UHFFFAOYSA-N
Literature Reference Author T.V.NIZOVTSEVA,T.N.KOMAROVA,A.S.NAKHMANOVICH,L.I.LARINA,V.A. LOPYREV,E.F.KALISTRA
Literature Reference Citation RUSS.J.ORG.CHEM.,38,1205(2002)
Literature Reference DOI 10.1023/A:1020922131002
Molecular Weight 364.819 g/mol
Solvent DMSO-D6
Source File Reference UWMZ9660