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(1-ALPHA,2-ALPHA,2A-BETA,2B-BETA,3-ALPHA,4-BETA,5A-BETA,6-ALPHA,6A-BETA)-2B,3,4,5,5,5A-HEXACHLORO-DECAHYDRO-1-PHENYLTHIO-2,4,6-METHENOCYCLOBUTA-[A]-PENTALENE
SpectraBase Compound ID DoXzEAe0Krx
InChI InChI=1S/C17H12Cl6S/c18-13-14(19)9-7-10-11(16(14,21)17(22,23)15(10,13)20)8(9)12(7)24-6-4-2-1-3-5-6/h1-5,7-13H/t7-,8+,9-,10+,11-,12+,13-,14-,15+,16-/m0/s1
InChIKey WRFIFHWROVKHAU-IPFMOZHVSA-N
Mol Weight 461.1 g/mol
Molecular Formula C17H12Cl6S
Exact Mass 457.879088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DJ717sRZkU4
Name (1-ALPHA,2-ALPHA,2A-BETA,2B-BETA,3-ALPHA,4-BETA,5A-BETA,6-ALPHA,6A-BETA)-2B,3,4,5,5,5A-HEXACHLORO-DECAHYDRO-1-PHENYLTHIO-2,4,6-METHENOCYCLOBUTA-[A]-PENTALENE
CAS Registry Number 115419-78-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12Cl6S
InChI InChI=1S/C17H12Cl6S/c18-13-14(19)9-7-10-11(16(14,21)17(22,23)15(10,13)20)8(9)12(7)24-6-4-2-1-3-5-6/h1-5,7-13H/t7-,8+,9-,10+,11-,12+,13-,14-,15+,16-/m0/s1
InChIKey WRFIFHWROVKHAU-IPFMOZHVSA-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 461.060 g/mol
Solvent CDCl3
Source File Reference UWGB1653