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Bicyclo[2.2.2]oct-5-en-2-one, 3-methyl-3-(4-methyl-3-pentenyl)-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID 9DLbMt7txOS
InChI InChI=1S/C15H22O/c1-11(2)5-4-10-15(3)13-8-6-12(7-9-13)14(15)16/h5-6,8,12-13H,4,7,9-10H2,1-3H3/t12-,13+,15+/m1/s1
InChIKey YMCGYCHVNMOBOP-IPYPFGDCSA-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 32KcShe8omk
Name Bicyclo[2.2.2]oct-5-en-2-one, 3-methyl-3-(4-methyl-3-pentenyl)-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
CAS Registry Number 128961-10-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-11(2)5-4-10-15(3)13-8-6-12(7-9-13)14(15)16/h5-6,8,12-13H,4,7,9-10H2,1-3H3/t12-,13+,15+/m1/s1
InChIKey YMCGYCHVNMOBOP-IPYPFGDCSA-N
Molecular Weight 218.340 g/mol
SMILES [C@@]1(C([C@]2([H])C=C[C@]1(CC2)[H])=O)(CCC=C(C)C)C
SPLASH splash10-0673-9600000000-3a4f6f54d0340694e714
Source of Spectrum AH-121-200-17
Synonyms (1S,3S,4R)-3-methyl-3-(4-methyl-3-pentenyl)bicyclo[2.2.2]oct-5-en-2-one 3-Methyl-3-(4-methyl-3-pentenyl)-bicyclo[2.2.2]oct-5-en-2-one
Wiley ID 1218367