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Bicyclo[5.1.0]octane-8-carboxylic acid, 8-ethenyl-2-oxo-, ethyl ester, (1.alpha.,7.alpha.,8.alpha.)-(.+-.)-
SpectraBase Compound ID 2ddtLxcVRKN
InChI InChI=1S/C13H18O3/c1-3-13(12(15)16-4-2)9-7-5-6-8-10(14)11(9)13/h3,9,11H,1,4-8H2,2H3/t9-,11-,13+/m1/s1
InChIKey HZYCNMFMCXUJIN-XWIASGKRSA-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 LKesmlFaMZ7
Name Bicyclo[5.1.0]octane-8-carboxylic acid, 8-ethenyl-2-oxo-, ethyl ester, (1.alpha.,7.alpha.,8.alpha.)-(.+-.)-
CAS Registry Number 122090-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-13(12(15)16-4-2)9-7-5-6-8-10(14)11(9)13/h3,9,11H,1,4-8H2,2H3/t9-,11-,13+/m1/s1
InChIKey HZYCNMFMCXUJIN-XWIASGKRSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]1([C@]2(C(=O)CCCC[C@@]12[H])[H])(C(=O)OCC)C=C
SPLASH splash10-004l-6900000000-4dcc2b651db82f71396d
Source of Spectrum C-111-6704-26
Synonyms endo-8-ethoxycarbonyl-8-vinylbicyclo[5.1.0]octan-2-one Ethyl (1S,7R,8S)-2-oxo-8-vinylbicyclo[5.1.0]octane-8-carboxylate exo-8-ethoxycarbonyl-8-vinylbicyclo[5.1.0]octan-2-one
Wiley ID 1222580