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methyl 6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID Fx30AYAF80A
InChI InChI=1S/C22H18BrFN2O4/c1-12-19(22(27)28-2)20(17(10-25)21(26)30-12)16-9-14(23)6-7-18(16)29-11-13-4-3-5-15(24)8-13/h3-9,20H,11,26H2,1-2H3
InChIKey KISCCUGARRQLCY-UHFFFAOYSA-N
Mol Weight 473.3 g/mol
Molecular Formula C22H18BrFN2O4
Exact Mass 472.043398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8dt1tjakzaH
Name methyl 6-amino-4-{5-bromo-2-[(3-fluorobenzyl)oxy]phenyl}-5-cyano-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/C22H18BrFN2O4/c1-12-19(22(27)28-2)20(17(10-25)21(26)30-12)16-9-14(23)6-7-18(16)29-11-13-4-3-5-15(24)8-13/h3-9,20H,11,26H2,1-2H3
InChIKey KISCCUGARRQLCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18308
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: UZI/1031736; Labnumber: TSI4118; UZI_ID: UZI-018315
Temperature 318 °C