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acetic acid, [[4-(2-chlorophenyl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, methyl ester
SpectraBase Compound ID IAs66Kh0py5
InChI InChI=1S/C15H13ClN2O3S/c1-21-14(20)8-22-15-11(7-17)10(6-13(19)18-15)9-4-2-3-5-12(9)16/h2-5,10H,6,8H2,1H3,(H,18,19)
InChIKey ZBCFBPYJRHOKAV-UHFFFAOYSA-N
Mol Weight 336.79 g/mol
Molecular Formula C15H13ClN2O3S
Exact Mass 336.033541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gExQZD8bUk
Name acetic acid, [[4-(2-chlorophenyl)-3-cyano-1,4,5,6-tetrahydro-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/C15H13ClN2O3S/c1-21-14(20)8-22-15-11(7-17)10(6-13(19)18-15)9-4-2-3-5-12(9)16/h2-5,10H,6,8H2,1H3,(H,18,19)
InChIKey ZBCFBPYJRHOKAV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2086
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/11238349