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

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4H-pyran-3-carboxylic acid, 6-amino-4-(4-chlorophenyl)-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-, ethyl ester
SpectraBase Compound ID GHcoHDNDJHl
InChI InChI=1S/C25H23ClN4O3S/c1-5-32-25(31)22-20(12-34-24-18(10-27)14(3)13(2)15(4)30-24)33-23(29)19(11-28)21(22)16-6-8-17(26)9-7-16/h6-9,21H,5,12,29H2,1-4H3
InChIKey SYNFBKRRCBPDBJ-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C25H23ClN4O3S
Exact Mass 494.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 19EY6ZYznaT
Name 4H-pyran-3-carboxylic acid, 6-amino-4-(4-chlorophenyl)-5-cyano-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-, 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/C25H23ClN4O3S/c1-5-32-25(31)22-20(12-34-24-18(10-27)14(3)13(2)15(4)30-24)33-23(29)19(11-28)21(22)16-6-8-17(26)9-7-16/h6-9,21H,5,12,29H2,1-4H3
InChIKey SYNFBKRRCBPDBJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4207
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: 63LAR2.634; IOH_ID: IOH-011210