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2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
SpectraBase Compound ID 9RktTrM1xdF
InChI InChI=1S/C12H12N4O2S/c1-7(10(17)18)19-12-14-13-11-15(2)8-5-3-4-6-9(8)16(11)12/h3-7H,1-2H3,(H,17,18)
InChIKey GAHHAMPYRNHBBX-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C12H12N4O2S
Exact Mass 276.068097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4QNVsnDej5n
Name 2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]propanoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.068096814 u
Formula C12H12N4O2S
InChI InChI=1S/C12H12N4O2S/c1-7(10(17)18)19-12-14-13-11-15(2)8-5-3-4-6-9(8)16(11)12/h3-7H,1-2H3,(H,17,18)
InChIKey GAHHAMPYRNHBBX-UHFFFAOYSA-N
Molecular Weight 276.314 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5274
Solvent DMSO-d6
Source Vendor ID: NMR/12318581