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9-Acetyl-1,6-dimethylbicyclo[4.4.0]dec-3-en-2-one isomer
SpectraBase Compound ID E1laDOf6IYr
InChI InChI=1S/C14H20O2/c1-10(15)11-6-8-13(2)7-4-5-12(16)14(13,3)9-11/h4-5,11H,6-9H2,1-3H3/t11-,13-,14-/m0/s1
InChIKey ZMLSFHFKVNJVDM-UBHSHLNASA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tSsP5fQ8Lp
Name 9-Acetyl-1,6-dimethylbicyclo[4.4.0]dec-3-en-2-one isomer
Alternate Name(s) (4aR,7S,8aR)-7-Acetyl-4a,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-one
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Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-10(15)11-6-8-13(2)7-4-5-12(16)14(13,3)9-11/h4-5,11H,6-9H2,1-3H3/t11-,13-,14-/m0/s1
InChIKey ZMLSFHFKVNJVDM-UBHSHLNASA-N
Molecular Weight 220.312 g/mol
SMILES [C@@]12(C[C@@](C(=O)C)(CC[C@@]2(CC=CC1=O)C)[H])C
SPLASH splash10-05fr-2910000000-9971a21a4936fdd2171d
Source of Spectrum AJ-66-2697-7
Wiley ID 772305