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(-)-(1R,2E)-[1-(4-Methoxycarbonyl-3-pentenyl)-2-p-tolylthio-2-cyclohexenyl]methylmercury chloride
SpectraBase Compound ID B4c7TGZWb6
InChI InChI=1S/C21H27O2S.ClH.Hg/c1-16-10-12-18(13-11-16)24-19-9-5-6-14-21(19,3)15-7-8-17(2)20(22)23-4;;/h8-13H,3,5-7,14-15H2,1-2,4H3;1H;/q;;+1/p-1/b17-8+;;
InChIKey XGJDQOWDHHWLBP-JUEUMZLJSA-M
Mol Weight 579.55 g/mol
Molecular Formula C21H27ClHgO2S
Exact Mass 580.112673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pObnTh84At
Name (-)-(1R,2E)-[1-(4-Methoxycarbonyl-3-pentenyl)-2-p-tolylthio-2-cyclohexenyl]methylmercury chloride
Alternate Name(s) Chloro({1-[(3E)-5-methoxy-4-methyl-5-oxo-3-pentenyl]-2-[(4-methylphenyl)sulfanyl]-2-cyclohexen-1-yl}methyl)mercury
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27ClHgO2S
InChI InChI=1S/C21H27O2S.ClH.Hg/c1-16-10-12-18(13-11-16)24-19-9-5-6-14-21(19,3)15-7-8-17(2)20(22)23-4;;/h8-13H,3,5-7,14-15H2,1-2,4H3;1H;/q;;+1/p-1/b17-8+;;
InChIKey XGJDQOWDHHWLBP-JUEUMZLJSA-M
Molecular Weight 579.550 g/mol
SMILES C=1(C(C[Hg]Cl)(CC\C=C\(C(=O)OC)C)CCCC1)Sc1ccc(cc1)C
SPLASH splash10-014i-0392000000-a535b14bfa8cdcaa3c40
Source of Spectrum F-53-609-8
Wiley ID 800057