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2,6-dichloro-4,11-dimethyl-3,5-dimethylene-9,9-bis(phenylsulphonyl)tricyclo[5.3.1.0(4,11)]undeca-1,6-diene
SpectraBase Compound ID 2TvRrSgdXiV
InChI InChI=1S/C27H24Cl2O4S2/c1-17-23(28)21-15-27(34(30,31)19-11-7-5-8-12-19,35(32,33)20-13-9-6-10-14-20)16-22-24(29)18(2)25(17,3)26(21,22)4/h5-14H,1-2,15-16H2,3-4H3
InChIKey KENOVLVGWPBHSW-UHFFFAOYSA-N
Mol Weight 547.51 g/mol
Molecular Formula C27H24Cl2O4S2
Exact Mass 546.049307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1M41lMxzuIy
Name 2,6-dichloro-4,11-dimethyl-3,5-dimethylene-9,9-bis(phenylsulphonyl)tricyclo[5.3.1.0(4,11)]undeca-1,6-diene
CAS Registry Number 133385-01-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24Cl2O4S2
InChI InChI=1S/C27H24Cl2O4S2/c1-17-23(28)21-15-27(34(30,31)19-11-7-5-8-12-19,35(32,33)20-13-9-6-10-14-20)16-22-24(29)18(2)25(17,3)26(21,22)4/h5-14H,1-2,15-16H2,3-4H3
InChIKey KENOVLVGWPBHSW-UHFFFAOYSA-N
Molecular Weight 547.511 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(S(=O)(=O)c2ccccc2)CC2=C(C(=C)C3(C2(C(C1)=C(C3=C)Cl)C)C)Cl
SPLASH splash10-0bt9-0000940000-1cee60c928d22b378762
Source of Spectrum K-124-1830-13
Synonyms 1,4-dichloro-2a,7b-dimethyl-2,3-dimethylene-6,6-bis(phenylsulfonyl)-2a,3,5,6,7,7b-hexahydro-2H-cyclopenta[cd]indene
Wiley ID 1405226