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(1R, 5R, 6R)-8,8-Dichloro-5-isopropyl-2-methylbicyclo[4.2.0]oct-2-en-7-one
SpectraBase Compound ID EiUDwMLF9XR
InChI InChI=1S/C12H16Cl2O/c1-6(2)8-5-4-7(3)10-9(8)11(15)12(10,13)14/h4,6,8-10H,5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey VJSOJHMFSWQVEW-BBBLOLIVSA-N
Mol Weight 247.16 g/mol
Molecular Formula C12H16Cl2O
Exact Mass 246.057821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jRvNZiJUsr
Name (1R, 5R, 6R)-8,8-Dichloro-5-isopropyl-2-methylbicyclo[4.2.0]oct-2-en-7-one
Alternate Name(s) (1R,2R,6R)-7,7-bis(chloranyl)-5-methyl-2-propan-2-yl-bicyclo[4.2.0]oct-4-en-8-one (1R,2R,6R)-7,7-dichloro-2-isopropyl-5-methyl-bicyclo[4.2.0]oct-4-en-8-one (1R,2R,6R)-7,7-dichloro-5-methyl-2-propan-2-yl-8-bicyclo[4.2.0]oct-4-enone (1R,2R,6R)-7,7-dichloro-5-methyl-2-propan-2-ylbicyclo[4.2.0]oct-4-en-8-one
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Formula C12H16Cl2O
InChI InChI=1S/C12H16Cl2O/c1-6(2)8-5-4-7(3)10-9(8)11(15)12(10,13)14/h4,6,8-10H,5H2,1-3H3/t8-,9-,10+/m1/s1
InChIKey VJSOJHMFSWQVEW-BBBLOLIVSA-N
Molecular Weight 247.165 g/mol
SMILES C1(C([C@@]2([C@](CC=C([C@]12[H])C)(C(C)C)[H])[H])=O)(Cl)Cl
SPLASH splash10-002e-9110000000-9381474983dc9ad8b0fe
Source of Spectrum F5-1-321-3
Wiley ID 1710427