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4,4-dichloro-3-pentyl-2-cyclobuten-1-one
SpectraBase Compound ID 7txfyzkMcf2
InChI InChI=1S/C9H12Cl2O/c1-2-3-4-5-7-6-8(12)9(7,10)11/h6H,2-5H2,1H3
InChIKey ZBKIZLWSUASELA-UHFFFAOYSA-N
Mol Weight 207.1 g/mol
Molecular Formula C9H12Cl2O
Exact Mass 206.02652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DyaBOMYJVdA
Name 4,4-dichloro-3-pentyl-2-cyclobuten-1-one
Alternate Name(s) 3-amyl-4,4-dichloro-cyclobut-2-en-1-one 4,4-bis(chloranyl)-3-pentyl-cyclobut-2-en-1-one 4,4-dichloro-3-pentyl-1-cyclobut-2-enone 4,4-dichloro-3-pentyl-cyclobut-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H12Cl2O
InChI InChI=1S/C9H12Cl2O/c1-2-3-4-5-7-6-8(12)9(7,10)11/h6H,2-5H2,1H3
InChIKey ZBKIZLWSUASELA-UHFFFAOYSA-N
Molecular Weight 207.100 g/mol
SMILES C1(C(CCCCC)=CC1=O)(Cl)Cl
SPLASH splash10-0zfr-0790000000-4a8485f338cbbb38f0e9
Source of Spectrum SK-25-2786-2
Wiley ID 866866