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{[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}acetic acid
SpectraBase Compound ID FyPnXtI1ccT
InChI InChI=1S/C18H16N4O3S/c23-16(24)12-26-18-20-19-17-21(10-11-25-13-6-2-1-3-7-13)14-8-4-5-9-15(14)22(17)18/h1-9H,10-12H2,(H,23,24)
InChIKey ZUFLRKYXKXHEMS-UHFFFAOYSA-N
Mol Weight 368.41 g/mol
Molecular Formula C18H16N4O3S
Exact Mass 368.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JHsAa32NbYe
Name {[9-(2-phenoxyethyl)-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl]sulfanyl}acetic 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 368.094311562 u
Formula C18H16N4O3S
InChI InChI=1S/C18H16N4O3S/c23-16(24)12-26-18-20-19-17-21(10-11-25-13-6-2-1-3-7-13)14-8-4-5-9-15(14)22(17)18/h1-9H,10-12H2,(H,23,24)
InChIKey ZUFLRKYXKXHEMS-UHFFFAOYSA-N
Molecular Weight 368.411 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5275
Solvent DMSO-d6
Source Vendor ID: NMR/12318582