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3-[(4-phenyl-1-cyclohexenyl)methyl]pentane-2,4-dione
SpectraBase Compound ID I4aDAyeqHFM
InChI InChI=1S/C18H22O2/c1-13(19)18(14(2)20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-8,17-18H,9-12H2,1-2H3
InChIKey YXDCRWPIJZNRBA-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjNiputocjf
Name 3-[(4-phenyl-1-cyclohexenyl)methyl]pentane-2,4-dione
Alternate Name(s) 3-[(4-phenylcyclohexen-1-yl)methyl]pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-13(19)18(14(2)20)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-8,17-18H,9-12H2,1-2H3
InChIKey YXDCRWPIJZNRBA-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES C(C(=O)C)(C(=O)C)CC1=CCC(CC1)c1ccccc1
SPLASH splash10-0pk9-0390000000-70c739087e01b644023a
Source of Spectrum SK-25-3988-12
Wiley ID 865899