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

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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)phenyl]-, ethyl ester
SpectraBase Compound ID 14q6t7Xrm3c
InChI InChI=1S/C26H26N4O3S2/c1-5-20-15(3)11-17(12-27)25(30-20)35-14-21-23(26(31)32-6-2)22(19(13-28)24(29)33-21)16-7-9-18(34-4)10-8-16/h7-11,22H,5-6,14,29H2,1-4H3
InChIKey HWQZDOXYFNCKQZ-UHFFFAOYSA-N
Mol Weight 506.64 g/mol
Molecular Formula C26H26N4O3S2
Exact Mass 506.144633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6OhHn0hQT0r
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]methyl]-4-[4-(methylthio)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/C26H26N4O3S2/c1-5-20-15(3)11-17(12-27)25(30-20)35-14-21-23(26(31)32-6-2)22(19(13-28)24(29)33-21)16-7-9-18(34-4)10-8-16/h7-11,22H,5-6,14,29H2,1-4H3
InChIKey HWQZDOXYFNCKQZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4212
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: 63LAR2.646; IOH_ID: IOH-011215