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4-Acetoxymethyl-1,4-dimethylcyclohepten-5-one
SpectraBase Compound ID 7KsMIpKCjpm
InChI InChI=1S/C12H18O3/c1-9-4-5-11(14)12(3,7-6-9)8-15-10(2)13/h6H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKey WQUCLHWWZPARFZ-GFCCVEGCSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qVJrnXGcrA
Name 4-Acetoxymethyl-1,4-dimethylcyclohepten-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9-4-5-11(14)12(3,7-6-9)8-15-10(2)13/h6H,4-5,7-8H2,1-3H3/t12-/m1/s1
InChIKey WQUCLHWWZPARFZ-GFCCVEGCSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]1(C(=O)CCC(=CC1)C)(COC(=O)C)C
SPLASH splash10-0fdo-9600000000-3dd662a9a379e725f64c
Source of Spectrum F-70-8270-11
Synonyms [(1R)-1,4-dimethyl-7-oxo-3-cyclohepten-1-yl]methyl acetate
Wiley ID 1597581