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Benzenepropionic acid, 3-methoxy-6-(2,3,4-trimethoxyphenyl)-, ethyl ester
SpectraBase Compound ID IercLyL6S20
InChI InChI=1S/C21H26O6/c1-6-27-19(22)12-7-14-13-15(23-2)8-9-16(14)17-10-11-18(24-3)21(26-5)20(17)25-4/h8-11,13H,6-7,12H2,1-5H3
InChIKey FWSUZEFRKOZIEX-UHFFFAOYSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWdg2F1Akey
Name Benzenepropionic acid, 3-methoxy-6-(2,3,4-trimethoxyphenyl)-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.172938551 u
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-6-27-19(22)12-7-14-13-15(23-2)8-9-16(14)17-10-11-18(24-3)21(26-5)20(17)25-4/h8-11,13H,6-7,12H2,1-5H3
InChIKey FWSUZEFRKOZIEX-UHFFFAOYSA-N
Molecular Weight 374.433 g/mol
SMILES C1=C(C(=CC=C1OC)C1=C(C(=C(C=C1)OC)OC)OC)CCC(OCC)=O