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2-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KS8KyOBFXxV
Name 2-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
Alternate Name(s) 2-Amino-4-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-7-(2-furyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile 2-Amino-4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Azanyl-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]phenyl]-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
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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 NC1=C(C(C2=C(CC(CC2=O)c2occc2)O1)c1ccc(OCc2c(Cl)cccc2F)cc1)C#N
SPLASH splash10-0006-7910000000-bd8d0d127cde4a3baaa6
Wiley ID 1459402