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(3aS,6aR,6bS,10aR)-Octahydro-2H-benzo[1,4]cyclopenta[2,3]cyclobuta[1,2-b]furan-7(3H)-one
SpectraBase Compound ID 9pxDA8ERpN7
InChI InChI=1S/C13H18O2/c14-10-4-2-6-13-11(10)9-3-1-5-12(9,13)7-8-15-13/h9,11H,1-8H2/t9-,11-,12+,13-/m1/s1
InChIKey CNQGSRLUFIVVGT-FOUMNBMASA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b1QiCCQgO7
Name (3aS,6aR,6bS,10aR)-Octahydro-2H-benzo[1,4]cyclopenta[2,3]cyclobuta[1,2-b]furan-7(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c14-10-4-2-6-13-11(10)9-3-1-5-12(9,13)7-8-15-13/h9,11H,1-8H2/t9-,11-,12+,13-/m1/s1
InChIKey CNQGSRLUFIVVGT-FOUMNBMASA-N
Literature Reference DOI 10.1002/anie.201407832
Molecular Weight 206.285 g/mol
SMILES C1CC[C@]23OCC[C@@]22[C@@]([C@@]3(C1=O)[H])(CCC2)[H]
SPLASH splash10-03dl-9600000000-b608fee4d4d94a81f234
Source of Spectrum ACI-53-SMS20-2c
Synonyms (3aS,6aR,6bS,10aR)-octahydro-4H-benzo[1,4]cyclopenta[2,3]cyclobuta[1,2-b]furan-7(8H)-one
Wiley ID 1782866