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

View entire compound with spectra: 1 NMR

4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[[3-cyano-6-(2-thienyl)-2-pyridinyl]thio]methyl]-4-(4-fluorophenyl)-, ethyl ester
SpectraBase Compound ID 45TUfWTakZG
InChI InChI=1S/C26H19FN4O3S2/c1-2-33-26(32)23-20(34-24(30)18(13-29)22(23)15-5-8-17(27)9-6-15)14-36-25-16(12-28)7-10-19(31-25)21-4-3-11-35-21/h3-11,22H,2,14,30H2,1H3
InChIKey XVLYBKUUNGQWFZ-UHFFFAOYSA-N
Mol Weight 518.58 g/mol
Molecular Formula C26H19FN4O3S2
Exact Mass 518.088261 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vF8gmcGEew
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-[[[3-cyano-6-(2-thienyl)-2-pyridinyl]thio]methyl]-4-(4-fluorophenyl)-, 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/C26H19FN4O3S2/c1-2-33-26(32)23-20(34-24(30)18(13-29)22(23)15-5-8-17(27)9-6-15)14-36-25-16(12-28)7-10-19(31-25)21-4-3-11-35-21/h3-11,22H,2,14,30H2,1H3
InChIKey XVLYBKUUNGQWFZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3393
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: 63LAR2.679