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2,7-dichloro-5,12-dimethyl-6-methylene-10-(phenylsulphonyl)tetracyclo[6.3.1.0(2,4].0(5,12)]dodeca-7,9,11-triene
SpectraBase Compound ID GdmnoG6uqnL
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
InChIKey QMNWTZRRDAIZAU-UHFFFAOYSA-N
Mol Weight 405.34 g/mol
Molecular Formula C21H18Cl2O2S
Exact Mass 404.040456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlL2dKVqJw9
Name 2,7-dichloro-5,12-dimethyl-6-methylene-10-(phenylsulphonyl)tetracyclo[6.3.1.0(2,4].0(5,12)]dodeca-7,9,11-triene
CAS Registry Number 133385-02-1
Comments Less than 3 mono-isotopic peaks
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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
InChIKey QMNWTZRRDAIZAU-UHFFFAOYSA-N
Molecular Weight 405.339 g/mol
SMILES C12(C=3C4(C(=C(C(C4(C2C1)C)=C)Cl)C=C(C3)S(=O)(=O)c1ccccc1)C)Cl
SPLASH splash10-0pdi-0020900000-798466643229abc9fc19
Source of Spectrum K-124-1830-14
Synonyms 2,5b-dichloro-6b,6c-dimethyl-1-methylene-1,5b,6,6a,6b,6c-hexahydrocyclopenta[cd]cyclopropa[a]inden-4-yl phenyl sulfone 2,5b-dichloro-6b,6c-dimethyl-1-methylene-4-(phenylsulfonyl)-1,5b,6,6a,6b,6c-hexahydrocyclopenta[cd]cyclopropa[a]indene
Wiley ID 1371182