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acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-
SpectraBase Compound ID 45nVfkJyJnr
InChI InChI=1S/C16H13N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKey AVUOMUDSGDOION-UHFFFAOYSA-N
Mol Weight 311.36 g/mol
Molecular Formula C16H13N3O2S
Exact Mass 311.072848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HpK7CoUdYeF
Name acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.072847843 u
Formula C16H13N3O2S
InChI InChI=1S/C16H13N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)
InChIKey AVUOMUDSGDOION-UHFFFAOYSA-N
Molecular Weight 311.359 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_844
Solvent DMSO-d6
Source Vendor ID: NMR/8266995; Lab Info: LP; Lab Number: LP-0801001
Temperature 29.85 °C