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(+-)-(6a.alpha.,6b.alpha.,9a.alpha.,9b.alpha.)-6a,6b,7,8,9a,9b-hexahydro-6a-hydroxy-9H-cyclopenta[3,4]cyclobuta[1,2-c][1]benzofuran-6-one

View entire compound with spectra: 1 MS (GC)

(+-)-(6a.alpha.,6b.alpha.,9a.alpha.,9b.alpha.)-6a,6b,7,8,9a,9b-hexahydro-6a-hydroxy-9H-cyclopenta[3,4]cyclobuta[1,2-c][1]benzofuran-6-one
SpectraBase Compound ID Gaak6aq76De
InChI InChI=1S/C14H14O3/c15-13-14(16)10-6-3-5-8(10)12(14)9-4-1-2-7-11(9)17-13/h1-2,4,7-8,10,12,16H,3,5-6H2/t8-,10+,12+,14-/m1/s1
InChIKey VJJUEBWXXHXBHY-LXTJZINMSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HUpaafij3c
Name (+-)-(6a.alpha.,6b.alpha.,9a.alpha.,9b.alpha.)-6a,6b,7,8,9a,9b-hexahydro-6a-hydroxy-9H-cyclopenta[3,4]cyclobuta[1,2-c][1]benzofuran-6-one
Alternate Name(s) (6aS,6bR,9aS,9bR)-6a-hydroxy-6b,7,8,9,9a,9b-hexahydrocyclopenta[3,4]cyclobuta[1,2-c]chromen-6(6aH)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c15-13-14(16)10-6-3-5-8(10)12(14)9-4-1-2-7-11(9)17-13/h1-2,4,7-8,10,12,16H,3,5-6H2/t8-,10+,12+,14-/m1/s1
InChIKey VJJUEBWXXHXBHY-LXTJZINMSA-N
Molecular Weight 230.263 g/mol
SMILES O[C@]12C(Oc3c([C@]2([H])[C@]2([C@@]1(CCC2)[H])[H])cccc3)=O
SPLASH splash10-03di-0900000000-d15eca98d1e0f25ae9d7
Source of Spectrum KC-0-2840-27
Wiley ID 780274