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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-[4-(phenylmethoxy)phenyl]-, ethyl ester

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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-[4-(phenylmethoxy)phenyl]-, ethyl ester
SpectraBase Compound ID DT3m1A32JJD
InChI InChI=1S/C32H30N4O4S/c1-5-38-32(37)29-27(18-41-31-25(15-33)20(3)19(2)21(4)36-31)40-30(35)26(16-34)28(29)23-11-13-24(14-12-23)39-17-22-9-7-6-8-10-22/h6-14,28H,5,17-18,35H2,1-4H3
InChIKey CPUDPHYKUQMCDR-UHFFFAOYSA-N
Mol Weight 566.7 g/mol
Molecular Formula C32H30N4O4S
Exact Mass 566.198777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C1j6cg9a2ro
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-4-[4-(phenylmethoxy)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/C32H30N4O4S/c1-5-38-32(37)29-27(18-41-31-25(15-33)20(3)19(2)21(4)36-31)40-30(35)26(16-34)28(29)23-11-13-24(14-12-23)39-17-22-9-7-6-8-10-22/h6-14,28H,5,17-18,35H2,1-4H3
InChIKey CPUDPHYKUQMCDR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4210
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: 63LAR2.639; IOH_ID: IOH-011213