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4-Bromo-2-chloro-3,7-dimethylcyclohept-2-en-1-one
SpectraBase Compound ID LM2DE0NYx2d
InChI InChI=1S/C9H12BrClO/c1-5-3-4-7(10)6(2)8(11)9(5)12/h5,7H,3-4H2,1-2H3
InChIKey OPAPSQGQXMTIRU-UHFFFAOYSA-N
Mol Weight 251.55 g/mol
Molecular Formula C9H12BrClO
Exact Mass 249.976006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCUazTO314v
Name 4-Bromo-2-chloro-3,7-dimethylcyclohept-2-en-1-one
Alternate Name(s) (4R*,7R*)-4-Bromo-2-chloro-3,7-dimethylcyclohept-2-en-1-one 4-Bromo-2-chloro-3,7-dimethyl-2-cyclohepten-1-one
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Formula C9H12BrClO
InChI InChI=1S/C9H12BrClO/c1-5-3-4-7(10)6(2)8(11)9(5)12/h5,7H,3-4H2,1-2H3
InChIKey OPAPSQGQXMTIRU-UHFFFAOYSA-N
Molecular Weight 251.551 g/mol
SMILES C1(C(=C(C(CCC1C)Br)C)Cl)=O
SPLASH splash10-0abc-6900000000-d0fb815c799ea55dd518
Source of Spectrum C5-2002-1698-4
Wiley ID 1614923