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Bicyclo[2.2.2]oct-5-en-2-one, 1,4-dimethyl-3-(3-methyl-2-butenyl)-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID GBLHLMF3vTc
InChI InChI=1S/C15H22O/c1-11(2)5-6-12-13(16)15(4)9-7-14(12,3)8-10-15/h5,7,9,12H,6,8,10H2,1-4H3/t12-,14-,15+/m0/s1
InChIKey JKSHGEDJLNQEJM-AEGPPILISA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UuKRp0ojZf
Name Bicyclo[2.2.2]oct-5-en-2-one, 1,4-dimethyl-3-(3-methyl-2-butenyl)-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) (1RS,3RS,4SR)-1,4-dimethyl-3-(3'-methylbut-2'-enyl)bicyclo[2.2.2]oct-5-ene-2-one (1S,3R,4R)-1,4-dimethyl-3-(3-methyl-2-butenyl)bicyclo[2.2.2]oct-5-en-2-one
CAS Registry Number 124034-06-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(2)5-6-12-13(16)15(4)9-7-14(12,3)8-10-15/h5,7,9,12H,6,8,10H2,1-4H3/t12-,14-,15+/m0/s1
InChIKey JKSHGEDJLNQEJM-AEGPPILISA-N
Molecular Weight 218.340 g/mol
SMILES C1([C@@]([C@]2(C)CC[C@]1(C=C2)C)(CC=C(C)C)[H])=O
SPLASH splash10-0a4i-4900000000-111898b6d77536673222
Source of Spectrum H-72-587-22
Wiley ID 1218346