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

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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, ethyl ester
SpectraBase Compound ID 7nsCRVPqHMr
InChI InChI=1S/C25H24N4O4S/c1-5-32-25(30)22-20(13-34-24-18(11-26)14(2)10-15(3)29-24)33-23(28)19(12-27)21(22)16-6-8-17(31-4)9-7-16/h6-10,21H,5,13,28H2,1-4H3
InChIKey NQCHGIQYURLIEH-UHFFFAOYSA-N
Mol Weight 476.55 g/mol
Molecular Formula C25H24N4O4S
Exact Mass 476.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2NNftvfgizG
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(4-methoxyphenyl)-, 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/C25H24N4O4S/c1-5-32-25(30)22-20(13-34-24-18(11-26)14(2)10-15(3)29-24)33-23(28)19(12-27)21(22)16-6-8-17(31-4)9-7-16/h6-10,21H,5,13,28H2,1-4H3
InChIKey NQCHGIQYURLIEH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1100
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: 63TSH0.248; IOH_ID: IOH-008102