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(1'R,5'S)-(5'-Hydroxy-2',6',6'-trimethyl)-2'-cyclohexenylmethylacetyl acetate
SpectraBase Compound ID JqJIIuVEC1Q
InChI InChI=1S/C14H22O4/c1-9-5-6-12(16)14(3,4)11(9)8-18-13(17)7-10(2)15/h5,11-12,16H,6-8H2,1-4H3/t11-,12+/m1/s1
InChIKey ARHLVYGOBJMZJE-NEPJUHHUSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCSZ5GWC5Of
Name (1'R,5'S)-(5'-Hydroxy-2',6',6'-trimethyl)-2'-cyclohexenylmethylacetyl acetate
Alternate Name(s) (5'-Hydroxy-2',6',6'-trimethyl)-2'-cyclohexenylmethylacetyl acetate 3-Oxo-butyric acid (1R,5S)-5-hydroxy-2,6,6-trimethyl-cyclohex-2-enylmethyl ester [(1R,5S)-5-hydroxy-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl 3-oxobutanoate
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Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-9-5-6-12(16)14(3,4)11(9)8-18-13(17)7-10(2)15/h5,11-12,16H,6-8H2,1-4H3/t11-,12+/m1/s1
InChIKey ARHLVYGOBJMZJE-NEPJUHHUSA-N
Molecular Weight 254.326 g/mol
SMILES O[C@@]1(C([C@@](C(C)=CC1)(COC(CC(=O)C)=O)[H])(C)C)[H]
SPLASH splash10-0006-9300000000-2a0f2e400498197acd49
Source of Spectrum F-50-13248-13
Wiley ID 790080