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ethyl 6-amino-5-cyano-4-{4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID JThyPJwoFPD
InChI InChI=1S/C22H21FN2O4S/c1-4-27-22(26)19-12(2)29-21(25)17(10-24)20(19)18-9-14(13(3)30-18)11-28-16-7-5-15(23)6-8-16/h5-9,20H,4,11,25H2,1-3H3
InChIKey KDSRAWRGZSLILE-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C22H21FN2O4S
Exact Mass 428.120606 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8vNKFA1W0nU
Name ethyl 6-amino-5-cyano-4-{4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-4H-pyran-3-carboxylate
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/C22H21FN2O4S/c1-4-27-22(26)19-12(2)29-21(25)17(10-24)20(19)18-9-14(13(3)30-18)11-28-16-7-5-15(23)6-8-16/h5-9,20H,4,11,25H2,1-3H3
InChIKey KDSRAWRGZSLILE-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11089
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: 1004031; UBI_ID: UBI-011092
Temperature 308 °C