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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(4-nitro-2-thienyl)-, methyl ester
SpectraBase Compound ID 7He1ECkZfEi
InChI InChI=1S/C13H11N3O5S/c1-6-10(13(17)20-2)11(8(4-14)12(15)21-6)9-3-7(5-22-9)16(18)19/h3,5,11H,15H2,1-2H3
InChIKey BVLSFKDBEYDSEU-UHFFFAOYSA-N
Mol Weight 321.31 g/mol
Molecular Formula C13H11N3O5S
Exact Mass 321.041942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVbDgdtWvA8
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-(4-nitro-2-thienyl)-, methyl 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/C13H11N3O5S/c1-6-10(13(17)20-2)11(8(4-14)12(15)21-6)9-3-7(5-22-9)16(18)19/h3,5,11H,15H2,1-2H3
InChIKey BVLSFKDBEYDSEU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3375
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: TSH-5238