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(1R*,2S*,6R*)-2-ethyl-6-methyl cyclohexyl (E)-but-2-enoate
SpectraBase Compound ID I3U1U5UUJK2
InChI InChI=1S/C13H22O2/c1-4-7-12(14)15-13-10(3)8-6-9-11(13)5-2/h4,7,10-11,13H,5-6,8-9H2,1-3H3/b7-4+/t10-,11+,13-/m1/s1
InChIKey RHOOLUARWOYPDN-LUJRCKKSSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeUHA87UhIQ
Name (1R*,2S*,6R*)-2-ethyl-6-methyl cyclohexyl (E)-but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-7-12(14)15-13-10(3)8-6-9-11(13)5-2/h4,7,10-11,13H,5-6,8-9H2,1-3H3/b7-4+/t10-,11+,13-/m1/s1
InChIKey RHOOLUARWOYPDN-LUJRCKKSSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 210.317 g/mol
SMILES C(\C=C\C)(=O)O[C@]1([C@](CCC[C@]1(C)[H])(CC)[H])[H]
SPLASH splash10-014j-9100000000-ed5252379d4ebaf08aeb
Source of Spectrum WO2017139920A1
Wiley ID 1855459