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1,4-Di(cyclohex-1-en-1-yl)butane-1,4-dione
SpectraBase Compound ID 3zqEYItzeuM
InChI InChI=1S/C16H22O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h7,9H,1-6,8,10-12H2
InChIKey DPZFWOASBKOKEU-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CY6kNx0zZsM
Name 1,4-Di(cyclohex-1-en-1-yl)butane-1,4-dione
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h7,9H,1-6,8,10-12H2
InChIKey DPZFWOASBKOKEU-UHFFFAOYSA-N
Instrument Name Thermo Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901043
Molecular Weight 246.350 g/mol
Quality 251
Reported Formula C16H22O2
SMILES C1(=CCCCC1)C(CCC(=O)C=1CCCCC1)=O
SPLASH splash10-0a7i-9700000000-e0da70d159deef8391df
Source of Spectrum K1-2019-6255-4a (DOI: 10.1002/ejoc.201901043)
Thin-Layer Chromatography 0.3 (n-pentane/EtOAc, 6:1)
Wiley ID 1892216