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2-Amino-4-[4-(2-fluorobenzyl)oxyphenyl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
SpectraBase Compound ID IGZUQNJ9OE1
InChI InChI=1S/C27H21FN2O4/c28-21-5-2-1-4-17(21)15-33-19-9-7-16(8-10-19)25-20(14-29)27(30)34-24-13-18(12-22(31)26(24)25)23-6-3-11-32-23/h1-11,18,25H,12-13,15,30H2
InChIKey NYSGGFRKPIZDPS-UHFFFAOYSA-N
Mol Weight 456.47 g/mol
Molecular Formula C27H21FN2O4
Exact Mass 456.148535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfGcK4fLXBT
Name 2-Amino-4-[4-(2-fluorobenzyl)oxyphenyl]-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21FN2O4
InChI InChI=1S/C27H21FN2O4/c28-21-5-2-1-4-17(21)15-33-19-9-7-16(8-10-19)25-20(14-29)27(30)34-24-13-18(12-22(31)26(24)25)23-6-3-11-32-23/h1-11,18,25H,12-13,15,30H2
InChIKey NYSGGFRKPIZDPS-UHFFFAOYSA-N
Molecular Weight 456.473 g/mol
SMILES NC1=C(C(C2=C(CC(CC2=O)c2occc2)O1)c1ccc(OCc2c(F)cccc2)cc1)C#N
SPLASH splash10-0a4i-4911000000-89a48d6058f2eefec130
Synonyms 2-Amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile 2-Amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-7-(2-furyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Amino-4-[4-[(2-fluorophenyl)methoxy]phenyl]-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile 2-Azanyl-4-[4-[(2-fluorophenyl)methoxy]phenyl]-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile
Wiley ID 1457983