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5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-8-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10R*)-

View entire compound with spectra: 1 MS (GC)

5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-8-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10R*)-
SpectraBase Compound ID JQyIC8ybXRp
InChI InChI=1S/C12H16O3/c13-7-3-1-6-5-2-4-8-10(11(5)14)9(7)12(6)15-8/h5-10,12-13H,1-4H2/t5-,6-,7?,8-,9+,10+,12+/m0/s1
InChIKey LQGQEAXDSCBLJR-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DX4QhOpxWZX
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, decahydro-8-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10R*)-
CAS Registry Number 83098-76-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c13-7-3-1-6-5-2-4-8-10(11(5)14)9(7)12(6)15-8/h5-10,12-13H,1-4H2/t5-,6-,7?,8-,9+,10+,12+/m0/s1
InChIKey LQGQEAXDSCBLJR-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OC1[C@@]2([C@@]3(C([C@@]4([C@](CC1)([C@]2(O[C@]3(CC4)[H])[H])[H])[H])=O)[H])[H]
SPLASH splash10-0a4i-6930000000-4f16351a66db895289e7
Source of Spectrum H-65-1013-0
Synonyms 5-Hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridecan-2-one 5exo-hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]tridecan-2-one
Wiley ID 1206840