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2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

View entire compound with spectra: 1 NMR

2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID AOUtIxDRTzm
InChI InChI=1S/C23H20ClFN2O4/c1-23(2)8-16(28)21-19(9-23)31-22(27)14(10-26)20(21)18-6-4-13(30-18)11-29-17-5-3-12(25)7-15(17)24/h3-7,20H,8-9,11,27H2,1-2H3
InChIKey WPWWUVLUTFQTEX-UHFFFAOYSA-N
Mol Weight 442.87 g/mol
Molecular Formula C23H20ClFN2O4
Exact Mass 442.109563 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GWVICtS5Z3s
Name 2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2-furyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H20ClFN2O4/c1-23(2)8-16(28)21-19(9-23)31-22(27)14(10-26)20(21)18-6-4-13(30-18)11-29-17-5-3-12(25)7-15(17)24/h3-7,20H,8-9,11,27H2,1-2H3
InChIKey WPWWUVLUTFQTEX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3466
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9314529; UBI_ID: UBI-003467
Temperature 308 °C