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2-Acetoxy-3-propyl-4,4-dimethylcyclohexen-6-one
SpectraBase Compound ID BBixOwpgiTP
InChI InChI=1S/C13H20O3/c1-5-6-11-12(16-9(2)14)7-10(15)8-13(11,3)4/h7,11H,5-6,8H2,1-4H3
InChIKey ASFYINVUMUUROK-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IYqrgcKEbj
Name 2-Acetoxy-3-propyl-4,4-dimethylcyclohexen-6-one
Alternate Name(s) 5,5-dimethyl-3-oxo-6-propyl-1-cyclohexen-1-yl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-6-11-12(16-9(2)14)7-10(15)8-13(11,3)4/h7,11H,5-6,8H2,1-4H3
InChIKey ASFYINVUMUUROK-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=CC(=O)CC(C1CCC)(C)C)OC(=O)C
SPLASH splash10-002f-0900000000-f8c0397337ab6aa30de8
Source of Spectrum SO-0-479-4
Wiley ID 1538898