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3-Buten-2-one, 4-[5-(1,3-dioxolan-2-ylmethyl)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, [1R-[1.alpha.(E),5.alpha.]]-
SpectraBase Compound ID 6qcziQkDjDI
InChI InChI=1S/C17H26O3/c1-12-5-7-14(11-16-19-9-10-20-16)17(3,4)15(12)8-6-13(2)18/h5-6,8,14-16H,7,9-11H2,1-4H3/b8-6+/t14-,15-/m1/s1
InChIKey RWTHRIFIYZKHES-OCESRQBRSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHkedjFknWQ
Name 3-Buten-2-one, 4-[5-(1,3-dioxolan-2-ylmethyl)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, [1R-[1.alpha.(E),5.alpha.]]-
Alternate Name(s) (1'R,5'R)-4-[5'(1,3-dioxolan-2-yl)methyl-2',6',6'-trimethylcyclohex-2'-enyl]but-3-en-2-one (3E)-4-[(1R,5R)-5-(1,3-dioxolan-2-ylmethyl)-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one
CAS Registry Number 123393-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-12-5-7-14(11-16-19-9-10-20-16)17(3,4)15(12)8-6-13(2)18/h5-6,8,14-16H,7,9-11H2,1-4H3/b8-6+/t14-,15-/m1/s1
InChIKey RWTHRIFIYZKHES-OCESRQBRSA-N
Molecular Weight 278.392 g/mol
SMILES C1([C@](\C=C\C(=O)C)(C(C)=CC[C@@]1(CC1OCCO1)[H])[H])(C)C
SPLASH splash10-00dl-9800000000-6a33a4891ad17d59e641
Source of Spectrum H-72-156-12
Wiley ID 1282288