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acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-[4-(1-methylethyl)phenyl]-6-oxo-2-pyridinyl]thio]-, methyl ester
SpectraBase Compound ID 2GfFkUEqXyC
InChI InChI=1S/C18H20N2O3S/c1-11(2)12-4-6-13(7-5-12)14-8-16(21)20-18(15(14)9-19)24-10-17(22)23-3/h4-7,11,14H,8,10H2,1-3H3,(H,20,21)
InChIKey VOQXMAJPETWBBZ-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1a24Y6aHfU4
Name acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-[4-(1-methylethyl)phenyl]-6-oxo-2-pyridinyl]thio]-, 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/C18H20N2O3S/c1-11(2)12-4-6-13(7-5-12)14-8-16(21)20-18(15(14)9-19)24-10-17(22)23-3/h4-7,11,14H,8,10H2,1-3H3,(H,20,21)
InChIKey VOQXMAJPETWBBZ-UHFFFAOYSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_2253
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: NMR/9248149; Labnumber: *0866212*
Temperature 323 °C