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3-Oxapentane-1,4-dione, 1-(2'-(octanoylamino)phenyl)-
SpectraBase Compound ID 72exF1uOxSL
InChI InChI=1S/C18H25NO4/c1-3-4-5-6-7-12-18(22)19-16-11-9-8-10-15(16)17(21)13-23-14(2)20/h8-11H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKey JQNFSIHQPHNRNX-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C18H25NO4
Exact Mass 319.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2MBJ8WD4D4
Name 3-Oxapentane-1,4-dione, 1-(2'-(octanoylamino)phenyl)-
Alternate Name(s) Acetic acid [2-oxo-2-[2-(1-oxooctylamino)phenyl]ethyl] ester [2-[2-(octanoylamino)phenyl]-2-oxoethyl] acetate [2-[2-(octanoylamino)phenyl]-2-oxo-ethyl] acetate [2-[2-(octanoylamino)phenyl]-2-oxidanylidene-ethyl] ethanoate
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Formula C18H25NO4
InChI InChI=1S/C18H25NO4/c1-3-4-5-6-7-12-18(22)19-16-11-9-8-10-15(16)17(21)13-23-14(2)20/h8-11H,3-7,12-13H2,1-2H3,(H,19,22)
InChIKey JQNFSIHQPHNRNX-UHFFFAOYSA-N
Molecular Weight 319.401 g/mol
SMILES N(c1c(cccc1)C(=O)COC(=O)C)C(=O)CCCCCCC
SPLASH splash10-006w-4950000000-6b67ddf2e4496b095512
Wiley ID 1490515