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2-Amino-4-(4-[(2-chloro-6-fluorophenyl)methoxy]phenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-Amino-4-(4-[(2-chloro-6-fluorophenyl)methoxy]phenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 5Za0i5EhqTg
InChI InChI=1S/C27H20ClFN2O4/c28-20-3-1-4-21(29)19(20)14-34-17-8-6-15(7-9-17)25-18(13-30)27(31)35-24-12-16(11-22(32)26(24)25)23-5-2-10-33-23/h1-10,16,25H,11-12,14,31H2
InChIKey OLZDREOHJAIRNX-UHFFFAOYSA-N
Mol Weight 490.92 g/mol
Molecular Formula C27H20ClFN2O4
Exact Mass 490.109563 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaGkqvoJjqT
Name 2-Amino-4-(4-[(2-chloro-6-fluorophenyl)methoxy]phenyl)-7-(furan-2-yl)-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 490.109562991 u
Formula C27H20ClFN2O4
InChI InChI=1S/C27H20ClFN2O4/c28-20-3-1-4-21(29)19(20)14-34-17-8-6-15(7-9-17)25-18(13-30)27(31)35-24-12-16(11-22(32)26(24)25)23-5-2-10-33-23/h1-10,16,25H,11-12,14,31H2
InChIKey OLZDREOHJAIRNX-UHFFFAOYSA-N
Molecular Weight 490.918 g/mol
SMILES C1(=C(OC2=C(C1C1=CC=C(OCC=3C(=CC=CC3F)Cl)C=C1)C(CC(C2)C=1OC=CC1)=O)N)C#N