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4H,5H-Pyrano[4,3-B]pyran-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-
SpectraBase Compound ID EjUxNmiLMeT
InChI InChI=1S/C18H16N2O5/c1-9-6-14-16(18(21)24-9)15(11(8-19)17(20)25-14)10-4-5-12(22-2)13(7-10)23-3/h4-7,15H,20H2,1-3H3
InChIKey XWFJZLMEJWQODW-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C18H16N2O5
Exact Mass 340.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfn9vcyem0Q
Name 4H,5H-Pyrano[4,3-B]pyran-3-carbonitrile, 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.105921618 u
Formula C18H16N2O5
InChI InChI=1S/C18H16N2O5/c1-9-6-14-16(18(21)24-9)15(11(8-19)17(20)25-14)10-4-5-12(22-2)13(7-10)23-3/h4-7,15H,20H2,1-3H3
InChIKey XWFJZLMEJWQODW-UHFFFAOYSA-N
Molecular Weight 340.335 g/mol
SMILES C12=C(C(OC(=C2)C)=O)C(C(=C(O1)N)C#N)C1=CC=C(OC)C(OC)=C1