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4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID 8ewGXGxg65d
InChI InChI=1S/C20H15FN2O2/c21-14-6-3-5-13(11-14)18-15(12-22)20(23-9-1-2-10-23)25-17-8-4-7-16(24)19(17)18/h1-3,5-6,9-11,18H,4,7-8H2
InChIKey MBHRGPNWNBVCLY-UHFFFAOYSA-N
Mol Weight 334.35 g/mol
Molecular Formula C20H15FN2O2
Exact Mass 334.111756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDC2xCSBBOl
Name 4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15FN2O2
InChI InChI=1S/C20H15FN2O2/c21-14-6-3-5-13(11-14)18-15(12-22)20(23-9-1-2-10-23)25-17-8-4-7-16(24)19(17)18/h1-3,5-6,9-11,18H,4,7-8H2
InChIKey MBHRGPNWNBVCLY-UHFFFAOYSA-N
Molecular Weight 334.350 g/mol
SMILES C(C1=C([n]2cccc2)OC2=C(C1c1cc(ccc1)F)C(=O)CCC2)#N
SPLASH splash10-000i-2392000000-952e73ce1965d68d713f
Source of Spectrum IY-2-4741-4
Synonyms 4H-1-Benzopyran-3-carbonitrile, 4-(3-fluorophenyl)-5,6,7,8-tetrahydro-5-oxo-2-(1H-pyrrol-1-yl)- 4-(3-fluorophenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile 4-(3-fluorophenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile 4-(3-fluorophenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Wiley ID 1655397