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acetic acid, [[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester

View entire compound with spectra: 1 NMR

acetic acid, [[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
SpectraBase Compound ID 5XZ3uc36Gvp
InChI InChI=1S/C17H16N4O2S/c1-2-23-15(22)12-24-17-20-19-16(13-8-10-18-11-9-13)21(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKey VWVPLIUTRRNSOI-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C17H16N4O2S
Exact Mass 340.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7e8DXrWPO1C
Name acetic acid, [[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
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/C17H16N4O2S/c1-2-23-15(22)12-24-17-20-19-16(13-8-10-18-11-9-13)21(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKey VWVPLIUTRRNSOI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6351
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: NMR/10266496