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3-(3'-Acetoxypropyl)-cyclohexanone
SpectraBase Compound ID Jeej4Pdnx3g
InChI InChI=1S/C11H18O3/c1-9(12)14-7-3-5-10-4-2-6-11(13)8-10/h10H,2-8H2,1H3
InChIKey MGFONVCOHDGAAX-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KWaqiKYMRw
Name 3-(3'-Acetoxypropyl)-cyclohexanone
Alternate Name(s) Acetic acid 3-(3-oxocyclohexyl)propyl ester 3-(3-oxocyclohexyl)propyl acetate 3-(3-oxidanylidenecyclohexyl)propyl ethanoate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-9(12)14-7-3-5-10-4-2-6-11(13)8-10/h10H,2-8H2,1H3
InChIKey MGFONVCOHDGAAX-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C(=O)(OCCCC1CC(=O)CCC1)C
SPLASH splash10-0002-9700000000-860c439354c6fedab217
Source of Spectrum AF-49-2504-15
Wiley ID 1694229