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Benzenepropanoic acid, .alpha.-[[[5-(3,4-dimethoxyphenyl)-2-methyl-3-furanyl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID TXkakJ5tUS
InChI InChI=1S/C24H25NO6/c1-15-18(14-21(31-15)17-10-11-20(28-2)22(13-17)29-3)23(26)25-19(24(27)30-4)12-16-8-6-5-7-9-16/h5-11,13-14,19H,12H2,1-4H3,(H,25,26)
InChIKey KKZXQFTWYIWZDY-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C24H25NO6
Exact Mass 423.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16mys0QFTs7
Name Benzenepropanoic acid, .alpha.-[[[5-(3,4-dimethoxyphenyl)-2-methyl-3-furanyl]carbonyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.168187523 u
Formula C24H25NO6
InChI InChI=1S/C24H25NO6/c1-15-18(14-21(31-15)17-10-11-20(28-2)22(13-17)29-3)23(26)25-19(24(27)30-4)12-16-8-6-5-7-9-16/h5-11,13-14,19H,12H2,1-4H3,(H,25,26)
InChIKey KKZXQFTWYIWZDY-UHFFFAOYSA-N
Molecular Weight 423.465 g/mol
SMILES C=1(C=C(C2=CC(OC)=C(C=C2)OC)OC1C)C(NC(C(=O)OC)CC1=CC=CC=C1)=O