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3-(4'-Bromobutyl)cyclopentenone
SpectraBase Compound ID FwiJsMaTeE6
InChI InChI=1S/C9H13BrO/c10-6-2-1-3-8-4-5-9(11)7-8/h7H,1-6H2
InChIKey XWUSKZHGADAMAQ-UHFFFAOYSA-N
Mol Weight 217.11 g/mol
Molecular Formula C9H13BrO
Exact Mass 216.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8uSQeWqnIRW
Name 3-(4'-Bromobutyl)cyclopentenone
Alternate Name(s) 3-(4-bromobutyl)-2-cyclopenten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H13BrO
InChI InChI=1S/C9H13BrO/c10-6-2-1-3-8-4-5-9(11)7-8/h7H,1-6H2
InChIKey XWUSKZHGADAMAQ-UHFFFAOYSA-N
Molecular Weight 217.106 g/mol
SMILES C1=C(CCC1=O)CCCCBr
SPLASH splash10-014j-6090000000-32f4da967e723004e44d
Source of Spectrum QA-40-590-2
Wiley ID 861628