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2,5(1H,3H)-Pentalenedione, tetrahydro-3a,6a-dimethyl-1,4-di-2-propenyl-, (1.alpha.,3a.beta.,4.alpha.,6a.beta.)-
SpectraBase Compound ID JAlQQ4ynbUx
InChI InChI=1S/C16H22O2/c1-5-7-11-13(17)9-16(4)12(8-6-2)14(18)10-15(11,16)3/h5-6,11-12H,1-2,7-10H2,3-4H3/t11-,12-,15-,16-/m1/s1
InChIKey YBOIABIWEKRFCE-CZPYZCIJSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPQ10K5b5hW
Name 2,5(1H,3H)-Pentalenedione, tetrahydro-3a,6a-dimethyl-1,4-di-2-propenyl-, (1.alpha.,3a.beta.,4.alpha.,6a.beta.)-
Alternate Name(s) (1S,3aR,4S,6aR)-1,4-diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione 2,6-Diallyl-1,5-dimethyl-cis-bicyclo[3.3.0]octane-3,7-dione
CAS Registry Number 128303-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-5-7-11-13(17)9-16(4)12(8-6-2)14(18)10-15(11,16)3/h5-6,11-12H,1-2,7-10H2,3-4H3/t11-,12-,15-,16-/m1/s1
InChIKey YBOIABIWEKRFCE-CZPYZCIJSA-N
Molecular Weight 246.350 g/mol
SMILES [C@]12([C@](CC([C@]2(CC=C)[H])=O)([C@](CC=C)(C(C1)=O)[H])C)C
SPLASH splash10-0002-9100000000-15d64893137986826ec7
Source of Spectrum J-55-4483-15
Wiley ID 1249414