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1-Oxo-2-(acetyloxy)-5-(3'-oxobut-1'-enyl)-3,3-dimethylcyclohex-5-ene
SpectraBase Compound ID LJIw0rE3tvi
InChI InChI=1S/C14H18O4/c1-9(15)5-6-11-7-12(17)13(18-10(2)16)14(3,4)8-11/h5-7,13H,8H2,1-4H3/b6-5+
InChIKey HSXWSIZRRBIOAP-AATRIKPKSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Joy3j9aWqKW
Name 1-Oxo-2-(acetyloxy)-5-(3'-oxobut-1'-enyl)-3,3-dimethylcyclohex-5-ene
Alternate Name(s) 6,6-Dimethyl-2-oxo-4-[(1E)-3-oxo-1-butenyl]-3-cyclohexen-1-yl acetate Acetic acid[2-keto-4-[(E)-3-ketobut-1-enyl]-6,6-dimethyl-cyclohex-3-en-1-yl]ester Acetic acid[6,6-dimethyl-2-oxo-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-3-enyl]ester [6,6-dimethyl-2-oxidanylidene-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl]ethanoate [6,6-dimethyl-2-oxo-4-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl]acetate Acetic acid [6,6-dimethyl-2-oxo-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-3-enyl] ester [6,6-dimethyl-2-oxo-4-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl] acetate [6,6-dimethyl-2-oxidanylidene-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl] ethanoate
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Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-9(15)5-6-11-7-12(17)13(18-10(2)16)14(3,4)8-11/h5-7,13H,8H2,1-4H3/b6-5+
InChIKey HSXWSIZRRBIOAP-AATRIKPKSA-N
Molecular Weight 250.294 g/mol
SMILES C1(C(C(C)(C)CC(=C1)\C=C\C(=O)C)OC(=O)C)=O
SPLASH splash10-006x-9500000000-46b6b103e6239e5fee70
Source of Spectrum U-1997-1891-23
Wiley ID 770024