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4-(4-Fluorophenyl)-7-(diethylamino)-coumarin-3-carbonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(4-Fluorophenyl)-7-(diethylamino)-coumarin-3-carbonitrile
SpectraBase Compound ID K4erNCR14vf
InChI InChI=1S/C20H17FN2O2/c1-3-23(4-2)15-9-10-16-18(11-15)25-20(24)17(12-22)19(16)13-5-7-14(21)8-6-13/h5-11H,3-4H2,1-2H3
InChIKey CXNWAFMHIAUNBY-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C20H17FN2O2
Exact Mass 336.127406 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KjDRyS7kOpn
Name 4-(4-Fluorophenyl)-7-(diethylamino)-coumarin-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.127405956 u
Formula C20H17FN2O2
InChI InChI=1S/C20H17FN2O2/c1-3-23(4-2)15-9-10-16-18(11-15)25-20(24)17(12-22)19(16)13-5-7-14(21)8-6-13/h5-11H,3-4H2,1-2H3
InChIKey CXNWAFMHIAUNBY-UHFFFAOYSA-N
Molecular Weight 336.366 g/mol
SMILES C1(=C(C=2C=CC(=CC2OC1=O)N(CC)CC)C=1C=CC(=CC1)F)C#N