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Methyl 2-(2-acetyl-3,5-dimethoxyphenyl)acetate
SpectraBase Compound ID H4pipCB427Z
InChI InChI=1S/C13H16O5/c1-8(14)13-9(6-12(15)18-4)5-10(16-2)7-11(13)17-3/h5,7H,6H2,1-4H3
InChIKey CNSJQKGHRYHGCM-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJ9MGxs2TfG
Name Methyl 2-(2-acetyl-3,5-dimethoxyphenyl)acetate
Appearance Pale yellow, amorphous solid
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-8(14)13-9(6-12(15)18-4)5-10(16-2)7-11(13)17-3/h5,7H,6H2,1-4H3
InChIKey CNSJQKGHRYHGCM-UHFFFAOYSA-N
Instrument Name VG autospec/Waters Autospec Premier
Ionization Type EI
Literature Reference DOI 10.1021/np400473u
Molecular Weight 252.266 g/mol
Reported Formula C13H16O5
SMILES COC(Cc1c(c(cc(c1)OC)OC)C(C)=O)=O
SPLASH splash10-0pdu-0490000000-69e8777c96bd6713d13d
Source of Spectrum G4-76-2057-2057-1
Thin-Layer Chromatography Rf = 0.4
Wiley ID 1865654