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(+/-)-(1R*,2R*,6R*,7S*)-2-ACETYL-7-HYDROXYBICYCLO-[4.3.0]-NONAN-4-ONE
SpectraBase Compound ID DOQIZJJN0Qt
InChI InChI=1S/C11H16O3/c1-6(12)9-4-7(13)5-10-8(9)2-3-11(10)14/h8-11,14H,2-5H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKey CBFSPPCBMQARDB-MMWGEVLESA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3STagmxbsr5
Name 5H-Inden-5-one, 7-acetyloctahydro-3-hydroxy-, (3.alpha.,3a.beta.,7.beta.,7a.beta.)-(.+-.)-
Alternate Name(s) (+-)-(1R,2R,6R,7S)-2-acetyl-7-hydroxybicyclo[4.3.0]nonan-4-one (3S,3aR,7R,7aR)-7-acetyl-3-hydroxyoctahydro-5H-inden-5-one
CAS Registry Number 128900-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6(12)9-4-7(13)5-10-8(9)2-3-11(10)14/h8-11,14H,2-5H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKey CBFSPPCBMQARDB-MMWGEVLESA-N
Molecular Weight 196.246 g/mol
SMILES O[C@@]1([C@]2([C@]([C@](C(=O)C)(CC(C2)=O)[H])(CC1)[H])[H])[H]
SPLASH splash10-0006-9300000000-13d9e6991ca5c7fb74ec
Source of Spectrum F-46-415-10
Wiley ID 1193162