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1-Acetoxy-4-allyl-5,5-dimethylcyclohexen-3-one
SpectraBase Compound ID 3eDBkdifBMW
InChI InChI=1S/C13H18O3/c1-5-6-11-12(15)7-10(16-9(2)14)8-13(11,3)4/h5,7,11H,1,6,8H2,2-4H3
InChIKey WZEWDCGBSLVNPH-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cuvE0B1CkJ
Name 1-Acetoxy-4-allyl-5,5-dimethylcyclohexen-3-one
Alternate Name(s) 4-Allyl-5,5-dimethyl-3-oxo-1-cyclohexen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-5-6-11-12(15)7-10(16-9(2)14)8-13(11,3)4/h5,7,11H,1,6,8H2,2-4H3
InChIKey WZEWDCGBSLVNPH-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(=CC(C(C(C1)(C)C)CC=C)=O)OC(=O)C
SPLASH splash10-0159-0900000000-e2edf341b8716ee22e85
Source of Spectrum SO-0-479-3
Wiley ID 1538901