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acetic acid, [[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, methyl ester
SpectraBase Compound ID 5836ITSM342
InChI InChI=1S/C16H14N2O5S/c1-21-15(20)7-24-16-11(6-17)10(5-14(19)18-16)9-2-3-12-13(4-9)23-8-22-12/h2-4,10H,5,7-8H2,1H3,(H,18,19)
InChIKey GOHSLRHFFHURLM-UHFFFAOYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C16H14N2O5S
Exact Mass 346.062343 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bsh3fw90v62
Name acetic acid, [[4-(1,3-benzodioxol-5-yl)-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/C16H14N2O5S/c1-21-15(20)7-24-16-11(6-17)10(5-14(19)18-16)9-2-3-12-13(4-9)23-8-22-12/h2-4,10H,5,7-8H2,1H3,(H,18,19)
InChIKey GOHSLRHFFHURLM-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2186
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/11238474