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2-Amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

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2-Amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
SpectraBase Compound ID 5YZYA8K5LOs
InChI InChI=1S/C20H11F3N2O3/c21-20(22,23)11-7-5-10(6-8-11)15-13(9-24)18(25)28-17-12-3-1-2-4-14(12)27-19(26)16(15)17/h1-8,15H,25H2
InChIKey CPJUBBVTYOPJLQ-UHFFFAOYSA-N
Mol Weight 384.31 g/mol
Molecular Formula C20H11F3N2O3
Exact Mass 384.072177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACD6C9gliFz
Name 2-Amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H-pyrano[3,2-C]chromene-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.072176708 u
Formula C20H11F3N2O3
InChI InChI=1S/C20H11F3N2O3/c21-20(22,23)11-7-5-10(6-8-11)15-13(9-24)18(25)28-17-12-3-1-2-4-14(12)27-19(26)16(15)17/h1-8,15H,25H2
InChIKey CPJUBBVTYOPJLQ-UHFFFAOYSA-N
Molecular Weight 384.314 g/mol
SMILES C12=C(OC(=C(C2C2=CC=C(C(F)(F)F)C=C2)C#N)N)C=2C=CC=CC2OC1=O