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4-piperidinecarboxamide, 1-[2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]ethyl]-
SpectraBase Compound ID 21iXGzmCUvo
InChI InChI=1S/C25H28N2O6/c1-30-21-6-3-17(13-23(21)31-2)20-15-33-22-14-18(4-5-19(22)24(20)28)32-12-11-27-9-7-16(8-10-27)25(26)29/h3-6,13-16H,7-12H2,1-2H3,(H2,26,29)
InChIKey KDVHMUXQJGVDTH-UHFFFAOYSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Xbcezes6Sk
Name 4-Piperidinecarboxamide, 1-[2-[[3-(3,4-dimethoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.194736624 u
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-30-21-6-3-17(13-23(21)31-2)20-15-33-22-14-18(4-5-19(22)24(20)28)32-12-11-27-9-7-16(8-10-27)25(26)29/h3-6,13-16H,7-12H2,1-2H3,(H2,26,29)
InChIKey KDVHMUXQJGVDTH-UHFFFAOYSA-N
Molecular Weight 452.507 g/mol
SMILES NC(C1CCN(CCOC=2C=C3OC=C(C(C3=CC2)=O)C=2C=C(OC)C(=CC2)OC)CC1)=O