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(1R*,2S*,5S*)-2-Carbethoxy-8-oxobicyclo[3.3.1]nonane
SpectraBase Compound ID EWfJ3dXPMH2
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-5-3-8-4-6-11(13)10(9)7-8/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKey DZGGHADMMPGBJL-LPEHRKFASA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MEujRTHKQK
Name (1R*,2S*,5S*)-2-Carbethoxy-8-oxobicyclo[3.3.1]nonane
Alternate Name(s) Ethyl (1R,2S,5S)-8-oxobicyclo[3.3.1]nonane-2-carboxylate
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-2-15-12(14)9-5-3-8-4-6-11(13)10(9)7-8/h8-10H,2-7H2,1H3/t8-,9-,10+/m0/s1
InChIKey DZGGHADMMPGBJL-LPEHRKFASA-N
Molecular Weight 210.273 g/mol
SMILES [C@]12([C@@](C(=O)OCC)(CC[C@](C2)(CCC1=O)[H])[H])[H]
SPLASH splash10-004i-9320000000-9ed6df2f210399380310
Source of Spectrum C-115-5951-18
Wiley ID 1209312