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(1-ALPHA,2-ALPHA,2A-BETA,2B-BETA,3-BETA,4-BETA,5A-BETA,6-ALPHA,6A-BETA)-2B,3,4,5A-TETRACHLORO-DECAHYDRO-5,5-DIMETHOXY-1-PHENYLTHIO-2,4,6-METHENO-CYCLOBUTA-[A]-
SpectraBase Compound ID EsRnZQvF99A
InChI InChI=1S/C19H18Cl4O2S/c1-24-19(25-2)17(22)12-9-11-10(14(9)26-8-6-4-3-5-7-8)13(12)18(19,23)16(11,21)15(17)20/h3-7,9-15H,1-2H3/t9-,10+,11-,12+,13-,14+,15?,16-,17+,18-/m0/s1
InChIKey YQHKDJDSQYJVSC-AEMCWJQGSA-N
Mol Weight 452.2 g/mol
Molecular Formula C19H18Cl4O2S
Exact Mass 449.978162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhG05As94nb
Name (1-ALPHA,2-ALPHA,2A-BETA,2B-BETA,3-BETA,4-BETA,5A-BETA,6-ALPHA,6A-BETA)-2B,3,4,5A-TETRACHLORO-DECAHYDRO-5,5-DIMETHOXY-1-PHENYLTHIO-2,4,6-METHENO-CYCLOBUTA-[A]-
CAS Registry Number 115408-22-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18Cl4O2S
InChI InChI=1S/C19H18Cl4O2S/c1-24-19(25-2)17(22)12-9-11-10(14(9)26-8-6-4-3-5-7-8)13(12)18(19,23)16(11,21)15(17)20/h3-7,9-15H,1-2H3/t9-,10+,11-,12+,13-,14+,15?,16-,17+,18-/m0/s1
InChIKey YQHKDJDSQYJVSC-AEMCWJQGSA-N
Literature Reference Author S.FREUND,H.HENNEBERGER,M.CHRISTL
Literature Reference Citation CHEM.BER.,121,1665(1988)
Literature Reference DOI 10.1002/cber.19881210920
Molecular Weight 452.223 g/mol
Solvent CDCl3
Source File Reference UWGB1654