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2-[2-oxo-2-(3,4,5-Trimethoxyphenyl)ethyl]benzoic acid

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-[2-oxo-2-(3,4,5-Trimethoxyphenyl)ethyl]benzoic acid
SpectraBase Compound ID Bw5eZwsV21f
InChI InChI=1S/C18H18O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)14(19)8-11-6-4-5-7-13(11)18(20)21/h4-7,9-10H,8H2,1-3H3,(H,20,21)
InChIKey WWHCRTUQNBMAAO-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xPRpPwiVVu
Name 2-[2-oxo-2-(3,4,5-Trimethoxyphenyl)ethyl]benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 330.110338294 u
Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)14(19)8-11-6-4-5-7-13(11)18(20)21/h4-7,9-10H,8H2,1-3H3,(H,20,21)
InChIKey WWHCRTUQNBMAAO-UHFFFAOYSA-N
Molecular Weight 330.336 g/mol
SMILES C=1C=C(C(C(=O)O)=CC1)CC(C1=CC(=C(C(=C1)OC)OC)OC)=O