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3-[2-cyclohexyl-1-(4-methoxyphenyl)ethyl]pentane-2,4-dione
SpectraBase Compound ID 7nldi5mqHD8
InChI InChI=1S/C20H28O3/c1-14(21)20(15(2)22)19(13-16-7-5-4-6-8-16)17-9-11-18(23-3)12-10-17/h9-12,16,19-20H,4-8,13H2,1-3H3
InChIKey APTWVNXJZVTRIN-UHFFFAOYSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tS0I3hjkZu
Name 3-[2-cyclohexyl-1-(4-methoxyphenyl)ethyl]pentane-2,4-dione
Appearance Light yellow oily liquid
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-14(21)20(15(2)22)19(13-16-7-5-4-6-8-16)17-9-11-18(23-3)12-10-17/h9-12,16,19-20H,4-8,13H2,1-3H3
InChIKey APTWVNXJZVTRIN-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 316.441 g/mol
Reported Formula C20H29O3
SMILES C1(CC(C(C(=O)C)C(=O)C)c2ccc(cc2)OC)CCCCC1
SPLASH splash10-00di-0920000000-5604359efd8c9e7af50a
Source of Spectrum CN108640839A
Wiley ID 1872469