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2,5(1H,3H)-Pentalenedione, tetrahydro-3a,6a-dimethyl-1-(2-propenyl)-, (1.alpha.,3a.alpha.,6a.alpha.)-
SpectraBase Compound ID EBYLafsAm0g
InChI InChI=1S/C13H18O2/c1-4-5-10-11(15)8-12(2)6-9(14)7-13(10,12)3/h4,10H,1,5-8H2,2-3H3/t10-,12-,13+/m1/s1
InChIKey JEVMFBUBTWXROZ-RTXFEEFZSA-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 3YSfxdIcDmE
Name 2,5(1H,3H)-Pentalenedione, tetrahydro-3a,6a-dimethyl-1-(2-propenyl)-, (1.alpha.,3a.alpha.,6a.alpha.)-
Alternate Name(s) (1S,3aR,6aS)-1-allyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione 2-Allyl-1,5-dimethyl-cis-bicyclo[3.3.0]octane-3,7-dione
CAS Registry Number 116504-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-4-5-10-11(15)8-12(2)6-9(14)7-13(10,12)3/h4,10H,1,5-8H2,2-3H3/t10-,12-,13+/m1/s1
InChIKey JEVMFBUBTWXROZ-RTXFEEFZSA-N
Molecular Weight 206.285 g/mol
SMILES [C@@]12([C@@](CC([C@]2(CC=C)[H])=O)(CC(C1)=O)C)C
SPLASH splash10-0002-9100000000-cba5b050eb1aa049bb9e
Source of Spectrum C-111-2177-18
Wiley ID 1204713