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3-pyridinecarbonitrile, 4-(1,3-benzodioxol-5-yl)-1,4,5,6-tetrahydro-6-oxo-2-(propylthio)-
SpectraBase Compound ID I3UHZf2hv1s
InChI InChI=1S/C16H16N2O3S/c1-2-5-22-16-12(8-17)11(7-15(19)18-16)10-3-4-13-14(6-10)21-9-20-13/h3-4,6,11H,2,5,7,9H2,1H3,(H,18,19)
InChIKey YELITOHGUUAQDI-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ilo3lBLSi6u
Name 3-pyridinecarbonitrile, 4-(1,3-benzodioxol-5-yl)-1,4,5,6-tetrahydro-6-oxo-2-(propylthio)-
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/C16H16N2O3S/c1-2-5-22-16-12(8-17)11(7-15(19)18-16)10-3-4-13-14(6-10)21-9-20-13/h3-4,6,11H,2,5,7,9H2,1H3,(H,18,19)
InChIKey YELITOHGUUAQDI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2318
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/11238646