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Cyclohexanone, 6-(acetyloxy)-2,3,3-trimethyl-2-(3-methyl-1,3-butadienyl)-, [2.alpha.(Z),6.alpha.]-
SpectraBase Compound ID Lo5ebSLRVj6
InChI InChI=1S/C16H24O3/c1-11(2)7-10-16(6)14(18)13(19-12(3)17)8-9-15(16,4)5/h7,10,13H,1,8-9H2,2-6H3/b10-7-/t13-,16-/m0/s1
InChIKey HMVFTVAHPXFAGK-URBKIBPMSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hip5zNb4xRJ
Name Cyclohexanone, 6-(acetyloxy)-2,3,3-trimethyl-2-(3-methyl-1,3-butadienyl)-, [2.alpha.(Z),6.alpha.]-
Alternate Name(s) (1S,3R)-3,4,4-trimethyl-3-[(1Z)-3-methyl-1,3-butadienyl]-2-oxocyclohexyl acetate (2R*,6S*)-6-acetoxy-2-[(Z)-3'-methyl-1',3'-butadienyl]-2,3,3-trimethylcyclohexanone
CAS Registry Number 81052-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c1-11(2)7-10-16(6)14(18)13(19-12(3)17)8-9-15(16,4)5/h7,10,13H,1,8-9H2,2-6H3/b10-7-/t13-,16-/m0/s1
InChIKey HMVFTVAHPXFAGK-URBKIBPMSA-N
Molecular Weight 264.365 g/mol
SMILES [C@]1(C([C@@](OC(=O)C)(CCC1(C)C)[H])=O)(\C=C/C(=C)C)C
SPLASH splash10-0006-9020000000-de011a6a2f6de808a506
Source of Spectrum F-37-3342-0
Wiley ID 1268223