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DIMETHYL-3,3''-(NAPHTHALENE-2,7-DIYL)-BENZCARBOXIMIDOTHIONATE-DIHYDROIODIDE
SpectraBase Compound ID H3BXSj7dUxr
InChI InChI=1S/C26H22N2S2.2HI/c1-29-25(27)22-7-3-5-18(13-22)20-11-9-17-10-12-21(16-24(17)15-20)19-6-4-8-23(14-19)26(28)30-2;;/h3-16,27-28H,1-2H3;2*1H
InChIKey NQWHFFZRJXUFHC-UHFFFAOYSA-N
Mol Weight 682.42095 g/mol
Molecular Formula C26H24I2N2S2
Exact Mass 681.947031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JbTYknlp8u
Name DIMETHYL-3,3''-(NAPHTHALENE-2,7-DIYL)-BENZCARBOXIMIDOTHIONATE-DIHYDROIODIDE
Compound Number 13E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H24I2N2S2
InChI InChI=1S/C26H22N2S2.2HI/c1-29-25(27)22-7-3-5-18(13-22)20-11-9-17-10-12-21(16-24(17)15-20)19-6-4-8-23(14-19)26(28)30-2;;/h3-16,27-28H,1-2H3;2*1H
InChIKey NQWHFFZRJXUFHC-UHFFFAOYSA-N
Literature Reference Author W.V.D.SAAL,R.A.ENGH,A.EICHINGER,B.GABRIEL,R.KUCZNIERZ,J.SAUE R
Literature Reference Citation ARCH.PHARM.,329,73(1996)
Literature Reference DOI 10.1002/ardp.19963290204
Molecular Weight 682.419 g/mol
Solvent DMSO-D6
Source File Reference UWRU5425