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4,9:5,8-Dimethano-1H-benz[f]inden-1-one, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-, (3a.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9.alpha.,9a.alpha.)-
SpectraBase Compound ID 67ddB5OE00D
InChI InChI=1S/C15H18O/c16-12-4-3-9-10-6-11(15(9)12)14-8-2-1-7(5-8)13(10)14/h3-4,7-11,13-15H,1-2,5-6H2/t7-,8+,9+,10+,11+,13+,14-,15+/m1/s1
InChIKey GDDYOZGXWIIBDG-GWQYNIACSA-N
Mol Weight 214.31 g/mol
Molecular Formula C15H18O
Exact Mass 214.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWQRR3tILp4
Name 4,9:5,8-Dimethano-1H-benz[f]inden-1-one, 3a,4,4a,5,6,7,8,8a,9,9a-decahydro-, (3a.alpha.,4.alpha.,4a.beta.,5.beta.,8.beta.,8a.beta.,9.alpha.,9a.alpha.)-
CAS Registry Number 62958-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O
InChI InChI=1S/C15H18O/c16-12-4-3-9-10-6-11(15(9)12)14-8-2-1-7(5-8)13(10)14/h3-4,7-11,13-15H,1-2,5-6H2/t7-,8+,9+,10+,11+,13+,14-,15+/m1/s1
InChIKey GDDYOZGXWIIBDG-GWQYNIACSA-N
Molecular Weight 214.308 g/mol
SMILES [C@@]12([C@@]([C@]3([H])C[C@]2([C@]2([C@@]3(C(=O)C=C2)[H])[H])[H])([C@]2([H])C[C@]1(CC2)[H])[H])[H]
SPLASH splash10-001i-5920000000-16ea505b04899dcb9006
Source of Spectrum KC-1977-1-26
Synonyms (1R,2S,3R,6S,7R,8S,9R,13S)-pentacyclo[6.5.1.1(3,6).0(2,7).0(9,13)]pentadec-11-en-10-one endo,exo,endo-3a,4,4a,5,6,7,8,9,9a-decahydro-4,9 : 5,8-dimethano-1H-benz(f)inden-1-one
Wiley ID 1214153