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1-(3-(bromomethyl)cyclopentyl)buta-2,3-dien-1-one
SpectraBase Compound ID DteSdubPxor
InChI InChI=1S/C10H13BrO/c1-2-3-10(12)9-5-4-8(6-9)7-11/h3,8-9H,1,4-7H2
InChIKey CLBUTSHSQKDRGZ-UHFFFAOYSA-N
Mol Weight 229.12 g/mol
Molecular Formula C10H13BrO
Exact Mass 228.014978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bSdCQhGG6K
Name 1-(3-(bromomethyl)cyclopentyl)buta-2,3-dien-1-one
Appearance Yellow oil
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Formula C10H13BrO
InChI InChI=1S/C10H13BrO/c1-2-3-10(12)9-5-4-8(6-9)7-11/h3,8-9H,1,4-7H2
InChIKey CLBUTSHSQKDRGZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c00452
Molecular Weight 229.117 g/mol
Reported Formula C10H13(79)BrO
SMILES C1(C(C=C=C)=O)CCC(CBr)C1
SPLASH splash10-001i-9400000000-37af72e71532890a0bf7
Sample Comments dr = 1.1:1
Source of Spectrum A1-23-SM28-3mb'
Wiley ID 1865996