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1H-Inden-1-one, octahydro-4,7a-dimethyl-, (3a.alpha.,4.alpha.,7a.beta.)-
SpectraBase Compound ID HW1KU2P3to2
InChI InChI=1S/C11H18O/c1-8-4-3-7-11(2)9(8)5-6-10(11)12/h8-9H,3-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKey TXEWCORQXOCMEG-YWVKMMECSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrU42dBCoDA
Name 1H-Inden-1-one, octahydro-4,7a-dimethyl-, (3a.alpha.,4.alpha.,7a.beta.)-
Alternate Name(s) (3a.alpha.,4.alpha.,7a.beta.)-octahydro-4,7a-dimethyl-1H-inden-1-one (3aS,4R,7aS)-4,7a-dimethyloctahydro-1H-inden-1-one
CAS Registry Number 87842-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-8-4-3-7-11(2)9(8)5-6-10(11)12/h8-9H,3-7H2,1-2H3/t8-,9+,11+/m1/s1
InChIKey TXEWCORQXOCMEG-YWVKMMECSA-N
Molecular Weight 166.264 g/mol
SMILES [C@]12([C@@](CCC2=O)([C@](C)(CCC1)[H])[H])C
SPLASH splash10-00l2-8900000000-ec96aaa597acc1f22f3e
Source of Spectrum J-49-156-0
Wiley ID 1162967