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(1.alpha.,4.alpha.,4a.beta.,8.beta.,10a.alpha.)-1,6,7,8,9,10a-Hexahydro-4H-1,4-epoxy-4a,8-methanobenzocycloocten-10(5H)-one
SpectraBase Compound ID 2Xm36qwCFJy
InChI InChI=1S/C13H16O2/c14-9-6-8-2-1-5-13(7-8)11-4-3-10(15-11)12(9)13/h3-4,8,10-12H,1-2,5-7H2/t8-,10+,11-,12+,13-/m1/s1
InChIKey LBKJNIARPXRXQG-YBPUZQHNSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aSmin3CYNC
Name (1.alpha.,4.alpha.,4a.beta.,8.beta.,10a.alpha.)-1,6,7,8,9,10a-Hexahydro-4H-1,4-epoxy-4a,8-methanobenzocycloocten-10(5H)-one
CAS Registry Number 71423-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-9-6-8-2-1-5-13(7-8)11-4-3-10(15-11)12(9)13/h3-4,8,10-12H,1-2,5-7H2/t8-,10+,11-,12+,13-/m1/s1
InChIKey LBKJNIARPXRXQG-YBPUZQHNSA-N
Molecular Weight 204.269 g/mol
SMILES [C@@]123[C@]([C@@]4([H])O[C@@]3(C=C4)[H])(C(=O)C[C@@](C2)([H])CCC1)[H]
SPLASH splash10-0m1c-9510000000-2da520d13d8e54a14dbf
Source of Spectrum J-44-3797-0
Synonyms (1S,2R,5S,6R,9S)-14-oxatetracyclo[7.3.1.1(2,5).0(1,6)]tetradec-3-en-7-one
Wiley ID 1202039