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(2R*,3R*)-3-Isopropyl-2-ethenylcyclohexanone
SpectraBase Compound ID 2v15eZYlWl5
InChI InChI=1S/C11H18O/c1-4-9-10(8(2)3)6-5-7-11(9)12/h4,8-10H,1,5-7H2,2-3H3/t9-,10+/m1/s1
InChIKey NRGIIDYGBCRQHE-ZJUUUORDSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcIQsVyPcrr
Name (2R*,3R*)-3-Isopropyl-2-ethenylcyclohexanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-4-9-10(8(2)3)6-5-7-11(9)12/h4,8-10H,1,5-7H2,2-3H3/t9-,10+/m1/s1
InChIKey NRGIIDYGBCRQHE-ZJUUUORDSA-N
Molecular Weight 166.264 g/mol
SMILES [C@@]1([C@](C(C)C)(CCCC1=O)[H])(C=C)[H]
SPLASH splash10-0002-9400000000-c98333539d14df2d6014
Source of Spectrum SO-0-141-0
Synonyms (2R,3S)-3-isopropyl-2-vinylcyclohexanone
Wiley ID 865270