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(1S*,2S*)-2,6,6-trimethylcyclohex-3-en-1-yl (E)-but-2-enoate
SpectraBase Compound ID x3hXDYsY8y
InChI InChI=1S/C13H20O2/c1-5-7-11(14)15-12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+/t10-,12-/m0/s1
InChIKey NIMOOIIITNEJCW-HMZXWZJTSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6GEDH6S8MI
Name (1S*,2S*)-2,6,6-trimethylcyclohex-3-en-1-yl (E)-but-2-enoate
Appearance Colorless oil
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Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-5-7-11(14)15-12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+/t10-,12-/m0/s1
InChIKey NIMOOIIITNEJCW-HMZXWZJTSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 208.301 g/mol
SMILES CC1(C)[C@@](OC(\C=C\C)=O)([C@](C=CC1)(C)[H])[H]
SPLASH splash10-014i-9800000000-d8a73f8ca448be8c17cc
Source of Spectrum WO2017139920A1
Wiley ID 1855460