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acetonitrile, [(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
SpectraBase Compound ID 10HaZNhchSI
InChI InChI=1S/C6H6N4O2S/c1-4-8-5(10(11)12)6(9-4)13-3-2-7/h3H2,1H3,(H,8,9)
InChIKey VZSGONQDUWUESD-UHFFFAOYSA-N
Mol Weight 198.2 g/mol
Molecular Formula C6H6N4O2S
Exact Mass 198.021147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GSzjF6Y3vqi
Name acetonitrile, [(2-methyl-4-nitro-1H-imidazol-5-yl)thio]-
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/C6H6N4O2S/c1-4-8-5(10(11)12)6(9-4)13-3-2-7/h3H2,1H3,(H,8,9)
InChIKey VZSGONQDUWUESD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_916
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: AG-205/5054649; Labnumber: AGG-416; IOH_ID: IOH-007918