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5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid
SpectraBase Compound ID CgY1Jwoslot
InChI InChI=1S/C13H16O5/c1-17-9-6-7-12(18-2)10(8-9)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKey LZYOLLXPXIINET-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IcwugNfgRLO
Name 5-(2,5-Dimethoxyphenyl)-5-oxopentanoic acid
Comments Computed using HOSE algorithm
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Exact Mass 252.099773610 u
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-17-9-6-7-12(18-2)10(8-9)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKey LZYOLLXPXIINET-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES C1=CC(=C(C=C1OC)C(CCCC(O)=O)=O)OC