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(1r*,2R*,6S*)-2,6-dimethylcyclohexyl (E)-but-2-enoate
SpectraBase Compound ID CCIzca4i5nJ
InChI InChI=1S/C12H20O2/c1-4-6-11(13)14-12-9(2)7-5-8-10(12)3/h4,6,9-10,12H,5,7-8H2,1-3H3/b6-4+/t9-,10+,12+
InChIKey USVMVLRXBUBBQX-JEQCASPJSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G9IWMYA6mE
Name (1r*,2R*,6S*)-2,6-dimethylcyclohexyl (E)-but-2-enoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-4-6-11(13)14-12-9(2)7-5-8-10(12)3/h4,6,9-10,12H,5,7-8H2,1-3H3/b6-4+/t9-,10+,12+
InChIKey USVMVLRXBUBBQX-JEQCASPJSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 196.290 g/mol
SMILES C(\C=C\C)(=O)O[C@]1([C@](CCC[C@]1(C)[H])(C)[H])[H]
SPLASH splash10-014i-9100000000-51bec049d2cb7f41d4dc
Source of Spectrum WO2017139920A1
Wiley ID 1855457