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(2T,4AR,8AC)-2-METHYL-HEXAHYDRO-1,3-BENZODITHIINE
SpectraBase Compound ID axe4O4j4k3
InChI InChI=1S/C9H16S2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h7-9H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey IJRUPYCILRFUHL-CIUDSAMLSA-N
Mol Weight 188.35 g/mol
Molecular Formula C9H16S2
Exact Mass 188.069343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmQCFyTiDXu
Name (2T,4AR,8AC)-2-METHYL-HEXAHYDRO-1,3-BENZODITHIINE
Compound Number 14-S-OUT
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16S2
InChI InChI=1S/C9H16S2/c1-7-10-6-8-4-2-3-5-9(8)11-7/h7-9H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey IJRUPYCILRFUHL-CIUDSAMLSA-N
Literature Reference Author K.PIHLAJA,K.D.KLIKA,J.SINKKONEN,V.V.OVCHARENKO,O.MALOSHITSKA YA,R.SILLANPAA,J.C
Literature Reference Citation J.ORG.CHEM.,67,1910(2002)
Literature Reference DOI 10.1021/jo011021u
Molecular Weight 188.346 g/mol
Solvent CDCl3
Source File Reference UWLU25494