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5-(p-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

5-(p-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6npWC7Gzt3g
InChI InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
InChIKey WBHKPLKLHZOBRB-UHFFFAOYSA-N
Mol Weight 247.36 g/mol
Molecular Formula C13H17N3S
Exact Mass 247.114319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EMRLxa6kfvu
Name 4H-1,2,4-triazole-3-thiol, 5-[4-(1,1-dimethylethyl)phenyl]-4-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 247.114318733 u
Formula C13H17N3S
InChI InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
InChIKey WBHKPLKLHZOBRB-UHFFFAOYSA-N
Molecular Weight 247.360 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13828
Solvent DMSO-d6
Source Vendor ID: NMR/10300369; Lab Info: LP; Lab Number: LP-2180886