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9-Acetyl-1,6-dimethylbicyclo[4.4.0]decan-2-one isomer
SpectraBase Compound ID Ls5jjTKH26L
InChI InChI=1S/C14H22O2/c1-10(15)11-6-8-13(2)7-4-5-12(16)14(13,3)9-11/h11H,4-9H2,1-3H3/t11-,13-,14-/m0/s1
InChIKey LNOMKZNRGHNXTK-UBHSHLNASA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EM8SQr1te7h
Name 9-Acetyl-1,6-dimethylbicyclo[4.4.0]decan-2-one isomer
Alternate Name(s) (4aS,7S,8aR)-7-Acetyl-4a,8a-dimethyl-octahydro-naphthalen-1-one
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-10(15)11-6-8-13(2)7-4-5-12(16)14(13,3)9-11/h11H,4-9H2,1-3H3/t11-,13-,14-/m0/s1
InChIKey LNOMKZNRGHNXTK-UBHSHLNASA-N
Molecular Weight 222.328 g/mol
SMILES [C@@]12(C[C@@](C(=O)C)(CC[C@@]2(CCCC1=O)C)[H])C
SPLASH splash10-00fr-1590000000-4b6c008234724c788f08
Source of Spectrum AJ-66-2697-8
Wiley ID 772303