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5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID GiGP632vWqH
InChI InChI=1S/C13H15N3S/c1-8-3-4-9(2)11(7-8)16-12(10-5-6-10)14-15-13(16)17/h3-4,7,10H,5-6H2,1-2H3,(H,15,17)
InChIKey ZRIYPHUNCZZHJA-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2uxpqMkcNU
Name 5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
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/C13H15N3S/c1-8-3-4-9(2)11(7-8)16-12(10-5-6-10)14-15-13(16)17/h3-4,7,10H,5-6H2,1-2H3,(H,15,17)
InChIKey ZRIYPHUNCZZHJA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18027
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: D31628; Labnumber: VGU-0022016; SBI_ID: SBI-018030
Synonyms 5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C