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(-)-TRANS-5-HYDROXY-4-(4'-HYDROXY-3'-METHOXYPHENYL)-4-(2''-IMIDAZOLYL)-1,2,3-TRITHIANE
SpectraBase Compound ID EwZ5oR0H2D3
InChI InChI=1S/C13H14N2O3S3/c1-18-10-6-8(2-3-9(10)16)13(12-14-4-5-15-12)11(17)7-19-21-20-13/h2-6,11,16-17H,7H2,1H3,(H,14,15)/t11-,13-/m0/s1
InChIKey UOBFZNJEPLRDAO-AAEUAGOBSA-N
Mol Weight 342.45 g/mol
Molecular Formula C13H14N2O3S3
Exact Mass 342.016656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AL6WJhhcJwL
Name (-)-TRANS-5-HYDROXY-4-(4'-HYDROXY-3'-METHOXYPHENYL)-4-(2''-IMIDAZOLYL)-1,2,3-TRITHIANE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N2O3S3
InChI InChI=1S/C13H14N2O3S3/c1-18-10-6-8(2-3-9(10)16)13(12-14-4-5-15-12)11(17)7-19-21-20-13/h2-6,11,16-17H,7H2,1H3,(H,14,15)/t11-,13-/m0/s1
InChIKey UOBFZNJEPLRDAO-AAEUAGOBSA-N
Literature Reference Author A.N.PEARCE,R.C.BABCOCK,C.N.BATTERSHILL,G.LAMBERT,B.R.COPP
Literature Reference Citation J.ORG.CHEM.,66,8257(2001)
Literature Reference DOI 10.1021/jo010769+
Molecular Weight 342.446 g/mol
Solvent CD3OD
Source File Reference UWLU29066