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methyl 6-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-5-cyano-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID 2Pkstc0PFuk
InChI InChI=1S/C23H20BrClN2O5/c1-12-20(23(28)30-3)21(16(10-26)22(27)32-12)13-4-6-18(29-2)14(8-13)11-31-19-7-5-15(25)9-17(19)24/h4-9,21H,11,27H2,1-3H3
InChIKey FLGBRWWZPLUSDE-UHFFFAOYSA-N
Mol Weight 519.78 g/mol
Molecular Formula C23H20BrClN2O5
Exact Mass 518.024412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9pubBl8zoF
Name methyl 6-amino-4-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-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/C23H20BrClN2O5/c1-12-20(23(28)30-3)21(16(10-26)22(27)32-12)13-4-6-18(29-2)14(8-13)11-31-19-7-5-15(25)9-17(19)24/h4-9,21H,11,27H2,1-3H3
InChIKey FLGBRWWZPLUSDE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3196
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: 9315686; UBI_ID: UBI-003197
Temperature 308 °C