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4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-

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4H-1-benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-
SpectraBase Compound ID 39jCDsjGn0R
InChI InChI=1S/C17H16N2O4/c1-22-14-7-9(5-6-11(14)20)15-10(8-18)17(19)23-13-4-2-3-12(21)16(13)15/h5-7,15,20H,2-4,19H2,1H3
InChIKey CYUCOXMWXGGJJF-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AAU83m7OSuF
Name 4H-1-Benzopyran-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.111006999 u
Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c1-22-14-7-9(5-6-11(14)20)15-10(8-18)17(19)23-13-4-2-3-12(21)16(13)15/h5-7,15,20H,2-4,19H2,1H3
InChIKey CYUCOXMWXGGJJF-UHFFFAOYSA-N
Molecular Weight 312.325 g/mol
SMILES NC1=C(C(C2=CC=C(C(=C2)OC)O)C=2C(CCCC2O1)=O)C#N