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(1R*,2S*,6R*)-2,6-Dimethylcyclohex-3-en-1-yl (E)-but-2-enoate
SpectraBase Compound ID 24DkOXewV1V
InChI InChI=1S/C12H18O2/c1-4-6-11(13)14-12-9(2)7-5-8-10(12)3/h4-7,9-10,12H,8H2,1-3H3/b6-4+/t9-,10+,12-/m0/s1
InChIKey ZCASNWRBRUYZQN-AMDMSWOKSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DeCA59h37m
Name (1R*,2S*,6R*)-2,6-Dimethylcyclohex-3-en-1-yl (E)-but-2-enoate
Appearance Colorless oil
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Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-4-6-11(13)14-12-9(2)7-5-8-10(12)3/h4-7,9-10,12H,8H2,1-3H3/b6-4+/t9-,10+,12-/m0/s1
InChIKey ZCASNWRBRUYZQN-AMDMSWOKSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 194.274 g/mol
SMILES C(\C=C\C)(=O)O[C@]1([C@](C=CC[C@]1(C)[H])(C)[H])[H]
SPLASH splash10-014i-9300000000-bd8f62c94135e764c34e
Source of Spectrum WO2017139920A1
Wiley ID 1855462