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N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID D38dISjMFCm
InChI InChI=1S/C13H13N3O3S/c1-16-5-4-14-13(16)20-7-12(17)15-9-2-3-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,15,17)
InChIKey STSKLFSXXFQNLC-UHFFFAOYSA-N
Mol Weight 291.32 g/mol
Molecular Formula C13H13N3O3S
Exact Mass 291.067762 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BPlx88boIsc
Name N-(1,3-benzodioxol-5-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
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/C13H13N3O3S/c1-16-5-4-14-13(16)20-7-12(17)15-9-2-3-10-11(6-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,15,17)
InChIKey STSKLFSXXFQNLC-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2678
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/9263348; Labnumber: PNA-NA00516