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5-({[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-2-phenyl-2H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID 4BQmouFd9SD
InChI InChI=1S/C14H14N8O2S/c1-21-8-16-18-14(21)25-7-10(23)17-13-11(12(15)24)19-22(20-13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,24)(H,17,20,23)
InChIKey RDSMWZHPUOANKG-UHFFFAOYSA-N
Mol Weight 358.38 g/mol
Molecular Formula C14H14N8O2S
Exact Mass 358.096043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8zyCplFVJOi
Name 2H-1,2,3-triazole-4-carboxamide, 5-[[[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]-2-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.096042895 u
Formula C14H14N8O2S
InChI InChI=1S/C14H14N8O2S/c1-21-8-16-18-14(21)25-7-10(23)17-13-11(12(15)24)19-22(20-13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,15,24)(H,17,20,23)
InChIKey RDSMWZHPUOANKG-UHFFFAOYSA-N
Molecular Weight 358.380 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16159
Solvent DMSO-d6
Source Vendor ID: NMR/11210046; Lab Info: SAD; Lab Number: 61