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2,7-DICHLORO-5,12-DIMETHYL-6-METHYLENE-10-PHENYLSULFONYL-TETRACYCLO-[6.3.1.0(2,4).0(5,12)]-DODECA-7,9,11-TRIENE
SpectraBase Compound ID L08ZeKSpkZm
InChI InChI=1S/C21H18Cl2O2S/c1-12-18(22)15-9-14(26(24,25)13-7-5-4-6-8-13)10-16-20(15,3)19(12,2)17-11-21(16,17)23/h4-10,17H,1,11H2,2-3H3/t17?,19-,20+,21?/m0/s1
InChIKey QMNWTZRRDAIZAU-PXMFUHLKSA-N
Mol Weight 405.34 g/mol
Molecular Formula C21H18Cl2O2S
Exact Mass 404.040456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4TvhfbYfpV
Name 2,7-DICHLORO-5,12-DIMETHYL-6-METHYLENE-10-PHENYLSULFONYL-TETRACYCLO-[6.3.1.0(2,4).0(5,12)]-DODECA-7,9,11-TRIENE
CAS Registry Number 133985-02-1
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18Cl2O2S
InChI InChI=1S/C21H18Cl2O2S/c1-12-18(22)15-9-14(26(24,25)13-7-5-4-6-8-13)10-16-20(15,3)19(12,2)17-11-21(16,17)23/h4-10,17H,1,11H2,2-3H3/t17?,19-,20+,21?/m0/s1
InChIKey QMNWTZRRDAIZAU-PXMFUHLKSA-N
Literature Reference Author K.MUELLEN,M.KLABUNDE,V.ENKELMANN
Literature Reference Citation CHEM.BER.,124,1827(1991)
Literature Reference DOI 10.1002/cber.19911240820
Molecular Weight 405.339 g/mol
Solvent CDCl3
Source File Reference UWCS13601