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2-Propanone, 1-(2-ethylidenecyclohexyl)-, (E)-
SpectraBase Compound ID evK9JmeJNj
InChI InChI=1S/C11H18O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h3,11H,4-8H2,1-2H3/b10-3+
InChIKey PQVDRUJAEJFXSJ-XCVCLJGOSA-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 3YlnE4jbVI
Name 2-Propanone, 1-(2-ethylidenecyclohexyl)-, (E)-
CAS Registry Number 67428-37-9
Comments Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718197
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-3-10-6-4-5-7-11(10)8-9(2)12/h3,11H,4-8H2,1-2H3/b10-3+
InChIKey PQVDRUJAEJFXSJ-XCVCLJGOSA-N
Molecular Weight 166.264 g/mol
SMILES C1(\C(CCCC1)=C\C)CC(=O)C
SPLASH splash10-053u-9300000000-71deec1a7c19378c4e14
Source of Spectrum C-100-3433-0
Synonyms 1-[(2E)-2-ethylidenecyclohexyl]acetone
Wiley ID 1162936