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3-(Benzoylmethyl)heptanoic acid

View entire compound with spectra: 1 MS (GC)

3-(Benzoylmethyl)heptanoic acid
SpectraBase Compound ID 6eG79DCmMhP
InChI InChI=1S/C15H20O3/c1-2-3-7-12(11-15(17)18)10-14(16)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,17,18)
InChIKey LCCMUXGKLMEKMK-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RARODbP0Kq
Name 3-(Benzoylmethyl)heptanoic acid
Alternate Name(s) 3-(2-oxo-2-phenylethyl)heptanoic acid
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Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-2-3-7-12(11-15(17)18)10-14(16)13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,17,18)
InChIKey LCCMUXGKLMEKMK-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES OC(CC(CC(=O)c1ccccc1)CCCC)=O
SPLASH splash10-05fr-1900000000-dcee6bd80e8d5d2a978d
Source of Spectrum D1-1994-1011-2
Wiley ID 834524