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3-[(2-Keto-6-methoxy-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
SpectraBase Compound ID AFSp1LW7j5O
InChI InChI=1S/C23H23NO7/c1-4-30-21(25)13-19(14-5-7-16(28-2)8-6-14)24-22(26)18-12-15-11-17(29-3)9-10-20(15)31-23(18)27/h5-12,19H,4,13H2,1-3H3,(H,24,26)
InChIKey CWZXOGSPCLGUER-UHFFFAOYSA-N
Mol Weight 425.44 g/mol
Molecular Formula C23H23NO7
Exact Mass 425.147452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbKcXefd2LO
Name 3-[(2-Keto-6-methoxy-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 425.147452078 u
Formula C23H23NO7
InChI InChI=1S/C23H23NO7/c1-4-30-21(25)13-19(14-5-7-16(28-2)8-6-14)24-22(26)18-12-15-11-17(29-3)9-10-20(15)31-23(18)27/h5-12,19H,4,13H2,1-3H3,(H,24,26)
InChIKey CWZXOGSPCLGUER-UHFFFAOYSA-N
Molecular Weight 425.437 g/mol
SMILES C=1(C(OC2=C(C1)C=C(C=C2)OC)=O)C(NC(CC(=O)OCC)C=1C=CC(=CC1)OC)=O