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endo-1-Ethoxycarbonyl-7-vinylbicyclo[3.2.1]octan-8-one
SpectraBase Compound ID 3BBF2R2dFSm
InChI InChI=1S/C13H18O3/c1-3-10-8-9-6-5-7-13(10,11(9)14)12(15)16-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10?,13-/m0/s1
InChIKey IKOFJTIIRXEVKB-DZGIZQBRSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qGfMm5UCAg
Name endo-1-Ethoxycarbonyl-7-vinylbicyclo[3.2.1]octan-8-one
Alternate Name(s) exo-1-Ethoxycarbonyl-7-vinylbicyclo[3.2.1]octan-8-one ethyl 8-oxo-7-vinylbicyclo[3.2.1]octane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-10-8-9-6-5-7-13(10,11(9)14)12(15)16-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10?,13-/m0/s1
InChIKey IKOFJTIIRXEVKB-DZGIZQBRSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(C([C@](CC2C=C)(CCC1)[H])=O)C(=O)OCC
SPLASH splash10-00di-0290000000-8bd22980f5e2a900524a
Source of Spectrum QE-8-924-4
Wiley ID 1557246