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4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-, ethyl ester
SpectraBase Compound ID BU48jMJF9Tj
InChI InChI=1S/C17H18N2O3S/c1-4-21-17(20)14-10(2)22-16(19)13(9-18)15(14)11-5-7-12(23-3)8-6-11/h5-8,15H,4,19H2,1-3H3
InChIKey REGVRZFJZIFZPM-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C17H18N2O3S
Exact Mass 330.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LjQ5zr5YUaJ
Name 4H-pyran-3-carboxylic acid, 6-amino-5-cyano-2-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/C17H18N2O3S/c1-4-21-17(20)14-10(2)22-16(19)13(9-18)15(14)11-5-7-12(23-3)8-6-11/h5-8,15H,4,19H2,1-3H3
InChIKey REGVRZFJZIFZPM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4194
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: 63LAR2.599; IOH_ID: IOH-011197