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5-(4-Methoxyphenyl)-1,3-cyclohexanedione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-(4-Methoxyphenyl)-1,3-cyclohexanedione
SpectraBase Compound ID BcBoxoz2ypG
InChI InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3
InChIKey AHYCBDWPHFFKFK-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVOi49Cee9l
Name 5-(4-Methoxyphenyl)-1,3-cyclohexanedione
CAS Registry Number 1774-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-16-13-4-2-9(3-5-13)10-6-11(14)8-12(15)7-10/h2-5,10H,6-8H2,1H3
InChIKey AHYCBDWPHFFKFK-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES c1cc(ccc1C1CC(CC(C1)=O)=O)OC
SPLASH splash10-03yi-2920000000-fa54fde18f8f80c89a4f
Source of Spectrum IC-562-0-0
Synonyms 1,3-Cyclohexanedione, 5-[4-methoxyphenyl]- 5-(4-Methoxyphenyl)cyclohexane-1,3-dione 5-(4-Methoxyphenyl)cyclohexane-1,3-quinone
Wiley ID 1217683