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4H-1,2,4-triazole-3-thiol, 4-ethyl-5-[[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl]-
SpectraBase Compound ID LrU9Zgh7733
InChI InChI=1S/C13H15N7S/c1-3-19-11(14-16-13(19)21)8-20-17-12(15-18-20)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,21)
InChIKey GXTJEODCRXXHTG-UHFFFAOYSA-N
Mol Weight 301.37 g/mol
Molecular Formula C13H15N7S
Exact Mass 301.110965 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H2Kurv71tPa
Name 4H-1,2,4-triazole-3-thiol, 4-ethyl-5-[[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.110964685 u
Formula C13H15N7S
InChI InChI=1S/C13H15N7S/c1-3-19-11(14-16-13(19)21)8-20-17-12(15-18-20)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,16,21)
InChIKey GXTJEODCRXXHTG-UHFFFAOYSA-N
Molecular Weight 301.372 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8288
Solvent DMSO-d6
Source Vendor ID: NMR/13309201