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

View entire compound with spectra: 1 NMR

4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(2-iodophenyl)-, ethyl ester
SpectraBase Compound ID HvGUrKIlaxr
InChI InChI=1S/C24H21IN4O3S/c1-4-31-24(30)21-19(12-33-23-16(10-26)13(2)9-14(3)29-23)32-22(28)17(11-27)20(21)15-7-5-6-8-18(15)25/h5-9,20H,4,12,28H2,1-3H3
InChIKey BHGPPNRVNYWWAA-UHFFFAOYSA-N
Mol Weight 572.42 g/mol
Molecular Formula C24H21IN4O3S
Exact Mass 572.037907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LyAJDB2E3jB
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(2-iodophenyl)-, 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/C24H21IN4O3S/c1-4-31-24(30)21-19(12-33-23-16(10-26)13(2)9-14(3)29-23)32-22(28)17(11-27)20(21)15-7-5-6-8-18(15)25/h5-9,20H,4,12,28H2,1-3H3
InChIKey BHGPPNRVNYWWAA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1104
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: 63TSH0.255; IOH_ID: IOH-008106