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7-.alpha.-Acetoxy-(1H.alpha.,6H.alpha.)-bicyclo[4.4.1]undeca-2,4,8-trien-11-one
SpectraBase Compound ID KsiWvwlhEsE
InChI InChI=1S/C13H14O3/c1-9(14)16-12-8-4-6-10-5-2-3-7-11(12)13(10)15/h2-5,7-8,10-12H,6H2,1H3/t10-,11+,12+/m0/s1
InChIKey RRNMOVVHLZSCOL-QJPTWQEYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hGbN7Jgvws
Name 7-.alpha.-Acetoxy-(1H.alpha.,6H.alpha.)-bicyclo[4.4.1]undeca-2,4,8-trien-11-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-9(14)16-12-8-4-6-10-5-2-3-7-11(12)13(10)15/h2-5,7-8,10-12H,6H2,1H3/t10-,11+,12+/m0/s1
InChIKey RRNMOVVHLZSCOL-QJPTWQEYSA-N
Molecular Weight 218.252 g/mol
SMILES [C@@]12(C([C@@](C=CC=C2)(CC=C[C@]1(OC(=O)C)[H])[H])=O)[H]
SPLASH splash10-0a4i-0900000000-a95777a4f0770ce9a56e
Source of Spectrum J-58-6289-4
Synonyms (1R,2S,6S)-11-oxobicyclo[4.4.1]undeca-3,7,9-trien-2-yl acetate
Wiley ID 1217770