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3-Chloroacetyl-2H-4,9-methanocycloundeca[b]furan-2-one
SpectraBase Compound ID 5ZiMEhsxlvd
InChI InChI=1S/C16H11ClO3/c17-9-12(18)15-14-11-6-2-1-4-10(8-11)5-3-7-13(14)20-16(15)19/h1-7H,8-9H2/b5-3-,13-7+
InChIKey FZWJAXFRWAVWFT-UUBQBMLNSA-N
Mol Weight 286.71 g/mol
Molecular Formula C16H11ClO3
Exact Mass 286.039672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cGE9rdmqaZ
Name 3-Chloroacetyl-2H-4,9-methanocycloundeca[b]furan-2-one
Alternate Name(s) 3-(chloroacetyl)-5-oxatricyclo[8.4.1.0(2,6)]pentadeca-1(14),2,6,8,10,12-hexaen-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H11ClO3
InChI InChI=1S/C16H11ClO3/c17-9-12(18)15-14-11-6-2-1-4-10(8-11)5-3-7-13(14)20-16(15)19/h1-7H,8-9H2/b5-3-,13-7+
InChIKey FZWJAXFRWAVWFT-UUBQBMLNSA-N
Molecular Weight 286.714 g/mol
SMILES C1(=C2\C(=C/C=C\C=3CC2=CC=CC3)OC1=O)C(=O)CCl
SPLASH splash10-000i-0090000000-89e0e27c9a250d01d81d
Source of Spectrum KC-0-2629-19
Wiley ID 782325