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3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
SpectraBase Compound ID KkH1ymFDR8j
InChI InChI=1S/C16H10N6O2S2/c23-22(24)9-5-6-10-11(7-9)18-14(17-10)8-25-15-19-20-16-21(15)12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,17,18)
InChIKey KJDIQVIOJNWPSC-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C16H10N6O2S2
Exact Mass 382.030666 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GnuwOFLw1k
Name 3-{[(5-nitro-1H-benzimidazol-2-yl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.030665932 u
Formula C16H10N6O2S2
InChI InChI=1S/C16H10N6O2S2/c23-22(24)9-5-6-10-11(7-9)18-14(17-10)8-25-15-19-20-16-21(15)12-3-1-2-4-13(12)26-16/h1-7H,8H2,(H,17,18)
InChIKey KJDIQVIOJNWPSC-UHFFFAOYSA-N
Molecular Weight 382.416 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5276
Solvent DMSO-d6
Source Vendor ID: NMR/12318584