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ethyl-[N-[3-[[[ethylammonio-(methylthio)methylene]amino]methyl]benzyl]-C-(methylthio)carbonimidoyl]ammonium diiodide
SpectraBase Compound ID 28vlIv8sgrc
InChI InChI=1S/C16H26N4S2.2HI/c1-5-17-15(21-3)19-11-13-8-7-9-14(10-13)12-20-16(22-4)18-6-2;;/h7-10H,5-6,11-12H2,1-4H3,(H,17,19)(H,18,20);2*1H
InChIKey OJJNVCHINRMKIK-UHFFFAOYSA-N
Mol Weight 594.357 g/mol
Molecular Formula C16H28I2N4S2
Exact Mass 593.984479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59761lk1FPm
Name ethyl-[N-[3-[[[ethylammonio-(methylthio)methylene]amino]methyl]benzyl]-C-(methylthio)carbonimidoyl]ammonium diiodide
Compound Number 27
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H28I2N4S2
InChI InChI=1S/C16H26N4S2.2HI/c1-5-17-15(21-3)19-11-13-8-7-9-14(10-13)12-20-16(22-4)18-6-2;;/h7-10H,5-6,11-12H2,1-4H3,(H,17,19)(H,18,20);2*1H
InChIKey OJJNVCHINRMKIK-UHFFFAOYSA-N
Literature Reference Author H.H.ZEPIK,S.A.BENNER
Literature Reference Citation J.ORG.CHEM.,64,8080(1999)
Literature Reference DOI 10.1021/jo982418+
Molecular Weight 594.354 g/mol
Sample ID 40413
Solvent DMSO-D6