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(6R)-6-[(3R)-3,7-dimethyloctyl]-3-methyl-cyclohex-2-en-1-one
SpectraBase Compound ID D2XF4KwmsnR
InChI InChI=1S/C17H30O/c1-13(2)6-5-7-14(3)8-10-16-11-9-15(4)12-17(16)18/h12-14,16H,5-11H2,1-4H3/t14-,16-/m1/s1
InChIKey GARICBYDNHFTIG-GDBMZVCRSA-N
Mol Weight 250.43 g/mol
Molecular Formula C17H30O
Exact Mass 250.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DU2xAgF2zXF
Name (6R)-6-[(3R)-3,7-dimethyloctyl]-3-methyl-cyclohex-2-en-1-one
Appearance Clear liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O
InChI InChI=1S/C17H30O/c1-13(2)6-5-7-14(3)8-10-16-11-9-15(4)12-17(16)18/h12-14,16H,5-11H2,1-4H3/t14-,16-/m1/s1
InChIKey GARICBYDNHFTIG-GDBMZVCRSA-N
Instrument Name HP 6890-5973 or Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900224
Molecular Weight 250.426 g/mol
SMILES C=1C([C@@](CCC1C)(CC[C@@](CCCC(C)C)(C)[H])[H])=O
SPLASH splash10-03di-4900000000-757683a4c8e2d6f0a7de
Source of Spectrum U1-2019-SM43-12
Thin-Layer Chromatography Rf = 0.18, (pentane/Et2O, 10:1)
Wiley ID 1848592