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8.alpha.-Ethoxycarbonyl-1-.beta.-methyl-(6H.beta.)-bicyclo[4.2.1]nona-2,4-diene
SpectraBase Compound ID Lkr88KVaYIK
InChI InChI=1S/C13H18O2/c1-3-15-13(14)12-8-10-6-4-5-9(2)11(12)7-10/h4-6,10-12H,3,7-8H2,1-2H3/t10?,11-,12-/m1/s1
InChIKey PUHFYHCYYKGBGQ-PQDIPPBSSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZewRpLbOrs
Name 8.alpha.-Ethoxycarbonyl-1-.beta.-methyl-(6H.beta.)-bicyclo[4.2.1]nona-2,4-diene
Alternate Name(s) Ethyl (6S,7R)-5-methylbicyclo[4.2.1]nona-2,4-diene-7-carboxylate
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-3-15-13(14)12-8-10-6-4-5-9(2)11(12)7-10/h4-6,10-12H,3,7-8H2,1-2H3/t10?,11-,12-/m1/s1
InChIKey PUHFYHCYYKGBGQ-PQDIPPBSSA-N
Molecular Weight 206.285 g/mol
SMILES [C@@]12([C@](C(=O)OCC)(CC(C2)C=CC=C1C)[H])[H]
SPLASH splash10-0a4i-0940000000-d9d734c6e9e717454df8
Source of Spectrum F-49-5503-7
Wiley ID 1204858