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3-BROMOMETHYL-2,6-DICHLORO-4,11-DIMETHYL-5-METHYLENE-9,9-BIS-(PHENYLSULFONYL)-TRICYCLO-[5.3.1.0(4,11)]-UNDECA-1,6-DIENE
SpectraBase Compound ID JrkOmbqTYvK
InChI InChI=1S/C27H25BrCl2O4S2/c1-17-23(29)20-14-27(35(31,32)18-10-6-4-7-11-18,36(33,34)19-12-8-5-9-13-19)15-21-24(30)22(16-28)25(17,2)26(20,21)3/h4-13,22H,1,14-16H2,2-3H3/t22?,25-,26+/m1/s1
InChIKey QPLAXFZNSXCXDY-DVSPJEKPSA-N
Mol Weight 628.42 g/mol
Molecular Formula C27H25BrCl2O4S2
Exact Mass 625.97547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCH5sULgvEr
Name 3-BROMOMETHYL-2,6-DICHLORO-4,11-DIMETHYL-5-METHYLENE-9,9-BIS-(PHENYLSULFONYL)-TRICYCLO-[5.3.1.0(4,11)]-UNDECA-1,6-DIENE
CAS Registry Number 133984-99-3
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25BrCl2O4S2
InChI InChI=1S/C27H25BrCl2O4S2/c1-17-23(29)20-14-27(35(31,32)18-10-6-4-7-11-18,36(33,34)19-12-8-5-9-13-19)15-21-24(30)22(16-28)25(17,2)26(20,21)3/h4-13,22H,1,14-16H2,2-3H3/t22?,25-,26+/m1/s1
InChIKey QPLAXFZNSXCXDY-DVSPJEKPSA-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 628.423 g/mol
Solvent CDCl3
Source File Reference UWCS13599