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2H-1-benzopyran-3-acetamide, N-[3-(2-furanyl)-1-methylpropyl]-7,8-dimethoxy-4-methyl-2-oxo-
SpectraBase Compound ID EsVMEV4Zq0n
InChI InChI=1S/C22H25NO6/c1-13(7-8-15-6-5-11-28-15)23-19(24)12-17-14(2)16-9-10-18(26-3)21(27-4)20(16)29-22(17)25/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,23,24)
InChIKey ZMPGHZRBXRYZQN-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfpPlPfsCr
Name 2H-1-Benzopyran-3-acetamide, N-[3-(2-furanyl)-1-methylpropyl]-7,8-dimethoxy-4-methyl-2-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.168187523 u
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-13(7-8-15-6-5-11-28-15)23-19(24)12-17-14(2)16-9-10-18(26-3)21(27-4)20(16)29-22(17)25/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,23,24)
InChIKey ZMPGHZRBXRYZQN-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES N(C(CC1=C(C=2C(OC1=O)=C(C(=CC2)OC)OC)C)=O)C(CCC=1OC=CC1)C