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acetamide, 2-[[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-N-(3-pyridinylmethyl)-
SpectraBase Compound ID 9KwUbRtLFMx
InChI InChI=1S/C25H22N2O6/c1-30-21-8-6-17(11-23(21)31-2)20-10-18-5-7-19(12-22(18)33-25(20)29)32-15-24(28)27-14-16-4-3-9-26-13-16/h3-13H,14-15H2,1-2H3,(H,27,28)
InChIKey DAXLGTCQWDTJPO-UHFFFAOYSA-N
Mol Weight 446.46 g/mol
Molecular Formula C25H22N2O6
Exact Mass 446.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GP0Ibm2CX9l
Name Acetamide, 2-[[3-(3,4-dimethoxyphenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy]-N-(3-pyridinylmethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.147786430 u
Formula C25H22N2O6
InChI InChI=1S/C25H22N2O6/c1-30-21-8-6-17(11-23(21)31-2)20-10-18-5-7-19(12-22(18)33-25(20)29)32-15-24(28)27-14-16-4-3-9-26-13-16/h3-13H,14-15H2,1-2H3,(H,27,28)
InChIKey DAXLGTCQWDTJPO-UHFFFAOYSA-N
Molecular Weight 446.459 g/mol
SMILES N(C(COC1=CC=C2C(=C1)OC(C(=C2)C=1C=C(OC)C(=CC1)OC)=O)=O)CC1=CN=CC=C1