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5-Acetoxymethyl-9-iodo-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one
SpectraBase Compound ID EuIGdJZCukt
InChI InChI=1S/C11H13IO4/c1-5(13)15-4-6-2-3-7-8-9(12)11(6,7)10(14)16-8/h6-9H,2-4H2,1H3
InChIKey GQBMMXAGLDNNKQ-UHFFFAOYSA-N
Mol Weight 336.13 g/mol
Molecular Formula C11H13IO4
Exact Mass 335.985854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LhqRxwfw3e
Name 5-Acetoxymethyl-9-iodo-8-oxatricyclo[4.2.1.0(2,6)]nonan-7-one
Alternate Name(s) (9-iodo-8-oxo-7-oxatricyclo[4.2.1.0(1,5)]non-2-yl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13IO4
InChI InChI=1S/C11H13IO4/c1-5(13)15-4-6-2-3-7-8-9(12)11(6,7)10(14)16-8/h6-9H,2-4H2,1H3
InChIKey GQBMMXAGLDNNKQ-UHFFFAOYSA-N
Molecular Weight 336.125 g/mol
SMILES C123C(OC(C3I)C1CCC2COC(=O)C)=O
SPLASH splash10-052f-6900000000-d5647c662dcc20386f82
Source of Spectrum F-47-5529-19
Wiley ID 1331990