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3-Chloroacetyl-2H-5,10-methanocycloundeca[b]furan-2-one
SpectraBase Compound ID KtGZjk35mCJ
InChI InChI=1S/C16H11ClO3/c17-9-13(18)15-12-8-11-4-2-1-3-10(7-11)5-6-14(12)20-16(15)19/h1-6,8H,7,9H2/b10-5-,11-8-,14-6+
InChIKey PGMBUCSUXZJBQS-GEVTUYIGSA-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 KZ98QW0mavl
Name 3-Chloroacetyl-2H-5,10-methanocycloundeca[b]furan-2-one
Alternate Name(s) 4-(chloroacetyl)-6-oxatricyclo[8.4.1.0(3,7)]pentadeca-1,3,7,9,11,13-hexaen-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H11ClO3
InChI InChI=1S/C16H11ClO3/c17-9-13(18)15-12-8-11-4-2-1-3-10(7-11)5-6-14(12)20-16(15)19/h1-6,8H,7,9H2/b10-5-,11-8-,14-6+
InChIKey PGMBUCSUXZJBQS-GEVTUYIGSA-N
Molecular Weight 286.714 g/mol
SMILES C1(=C2\C(=C/C=C\3C\C(=C/2)C=CC=C3)OC1=O)C(=O)CCl
SPLASH splash10-000i-0090000000-a1cbc3e41540fc04595d
Source of Spectrum KC-0-2629-21
Wiley ID 782323