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Dimethyl 4-benzoylheptanedioate
SpectraBase Compound ID EFBxg7VqkW6
InChI InChI=1S/C16H20O5/c1-20-14(17)10-8-13(9-11-15(18)21-2)16(19)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey SSQMTVHSDMLVJU-UHFFFAOYSA-N
Mol Weight 292.33 g/mol
Molecular Formula C16H20O5
Exact Mass 292.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XWAwgQdLtW
Name Dimethyl 4-benzoylheptanedioate
Alternate Name(s) 4-Benzoylheptanedioic acid dimethyl ester 4-Benzoylpimelic acid dimethyl ester Dimethyl 4-(phenylcarbonyl)heptanedioate
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Formula C16H20O5
InChI InChI=1S/C16H20O5/c1-20-14(17)10-8-13(9-11-15(18)21-2)16(19)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKey SSQMTVHSDMLVJU-UHFFFAOYSA-N
Molecular Weight 292.331 g/mol
SMILES C(CCC(CCC(=O)OC)C(c1ccccc1)=O)(=O)OC
SPLASH splash10-0a4i-2920000000-e6b5455210106ec05d5f
Source of Spectrum C5-2005-238-9
Wiley ID 1617956