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(E)-1-(2-methylcyclohexylidene)-3-phenylpropan-2-one
SpectraBase Compound ID 1qzJeECuYp3
InChI InChI=1S/C16H20O/c1-13-7-5-6-10-15(13)12-16(17)11-14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3/b15-12+
InChIKey OSIHVMQUSXMBMA-NTCAYCPXSA-N
Mol Weight 228.33 g/mol
Molecular Formula C16H20O
Exact Mass 228.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzW80KipC5t
Name (E)-1-(2-methylcyclohexylidene)-3-phenylpropan-2-one
Alternate Name(s) (1E)-1-(2-methylcyclohexylidene)-3-phenyl-2-propanone
CAS Registry Number 114507-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O
InChI InChI=1S/C16H20O/c1-13-7-5-6-10-15(13)12-16(17)11-14-8-3-2-4-9-14/h2-4,8-9,12-13H,5-7,10-11H2,1H3/b15-12+
InChIKey OSIHVMQUSXMBMA-NTCAYCPXSA-N
Molecular Weight 228.335 g/mol
SMILES C(\C=C\1C(C)CCCC1)(=O)Cc1ccccc1
SPLASH splash10-000l-4900000000-b81fb449b8b9bff7a524
Source of Spectrum J-53-3095-0
Wiley ID 1230325