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2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 2oR1Azo7m0z
InChI InChI=1S/C16H14N2O4/c17-7-9-14(8-4-5-10(19)12(21)6-8)15-11(20)2-1-3-13(15)22-16(9)18/h4-6,14,19,21H,1-3,18H2
InChIKey DTLIZDFEZQPPPW-UHFFFAOYSA-N
Mol Weight 298.3 g/mol
Molecular Formula C16H14N2O4
Exact Mass 298.095357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4JnKCsKco4
Name 2-Amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.095356935 u
Formula C16H14N2O4
InChI InChI=1S/C16H14N2O4/c17-7-9-14(8-4-5-10(19)12(21)6-8)15-11(20)2-1-3-13(15)22-16(9)18/h4-6,14,19,21H,1-3,18H2
InChIKey DTLIZDFEZQPPPW-UHFFFAOYSA-N
Molecular Weight 298.298 g/mol
SMILES NC1=C(C(C=2C=CC(=C(C2)O)O)C=2C(CCCC2O1)=O)C#N