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4a,7-Methano-4aH-benzocyclohepten-2(1H)-one, octahydro-6-hydroxy-, (4a.alpha.,6.beta.,7.alpha.,9a.beta.)-(.+-.)-
SpectraBase Compound ID KmKttvd6YJ9
InChI InChI=1S/C12H18O2/c13-10-3-4-12-6-8(11(14)7-12)1-2-9(12)5-10/h8-9,11,14H,1-7H2/t8-,9+,11+,12-/m0/s1
InChIKey CCFRKFMAFOUGOL-SPFNVWMYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mhvpypgwyj
Name 4a,7-Methano-4aH-benzocyclohepten-2(1H)-one, octahydro-6-hydroxy-, (4a.alpha.,6.beta.,7.alpha.,9a.beta.)-(.+-.)-
Alternate Name(s) (1S,6R,9S,10R)-10-hydroxytricyclo[7.2.1.0(1,6)]dodecan-4-one 6-Hydroxy-1,3,4,5,6,7,8,9-octahydro-4ah-benzacyclohepten-2(9H)-one
CAS Registry Number 71298-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c13-10-3-4-12-6-8(11(14)7-12)1-2-9(12)5-10/h8-9,11,14H,1-7H2/t8-,9+,11+,12-/m0/s1
InChIKey CCFRKFMAFOUGOL-SPFNVWMYSA-N
Molecular Weight 194.274 g/mol
SMILES O[C@@]1(C[C@@]23C[C@]1([H])CC[C@@]3(CC(CC2)=O)[H])[H]
SPLASH splash10-002f-1900000000-94f8c4e133523438e892
Source of Spectrum B-32-821-0
Wiley ID 1191033