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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-, ethyl ester
SpectraBase Compound ID GTkSN9dmVAt
InChI InChI=1S/C24H22N4O3S/c1-4-30-24(29)21-19(13-32-23-17(11-25)14(2)10-15(3)28-23)31-22(27)18(12-26)20(21)16-8-6-5-7-9-16/h5-10,20H,4,13,27H2,1-3H3
InChIKey RTKWILSYKYJSQX-UHFFFAOYSA-N
Mol Weight 446.53 g/mol
Molecular Formula C24H22N4O3S
Exact Mass 446.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5odYCi4sdFF
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-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/C24H22N4O3S/c1-4-30-24(29)21-19(13-32-23-17(11-25)14(2)10-15(3)28-23)31-22(27)18(12-26)20(21)16-8-6-5-7-9-16/h5-10,20H,4,13,27H2,1-3H3
InChIKey RTKWILSYKYJSQX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1102
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: 63TSH0.253; IOH_ID: IOH-008104