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4H-pyran-3-carboxylic acid, 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-phenyl-, ethyl ester

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4H-pyran-3-carboxylic acid, 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-phenyl-, ethyl ester
SpectraBase Compound ID 2yMgEhL8hRO
InChI InChI=1S/C21H16BrFN2O3/c1-2-27-21(26)18-17(13-8-9-16(23)15(22)10-13)14(11-24)20(25)28-19(18)12-6-4-3-5-7-12/h3-10,17H,2,25H2,1H3
InChIKey NRKDLQMIKUOCBF-UHFFFAOYSA-N
Mol Weight 443.27 g/mol
Molecular Formula C21H16BrFN2O3
Exact Mass 442.032834 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E1XJNFSSVi9
Name 4H-pyran-3-carboxylic acid, 6-amino-4-(3-bromo-4-fluorophenyl)-5-cyano-2-phenyl-, ethyl ester
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/C21H16BrFN2O3/c1-2-27-21(26)18-17(13-8-9-16(23)15(22)10-13)14(11-24)20(25)28-19(18)12-6-4-3-5-7-12/h3-10,17H,2,25H2,1H3
InChIKey NRKDLQMIKUOCBF-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_362
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: TSH-5546; IOH_ID: IOH-007363