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5-isopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol

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5-isopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Ihe9oABc1FC
InChI InChI=1S/C12H17N3S/c1-9(2)12(3)13-11(16)15(14-12)10-7-5-4-6-8-10/h4-9,14H,1-3H3,(H,13,16)
InChIKey DAEYJORFHFJBSZ-UHFFFAOYSA-N
Mol Weight 235.35 g/mol
Molecular Formula C12H17N3S
Exact Mass 235.114319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5olJ1rvlFk0
Name 5-isopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-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/C12H17N3S/c1-9(2)12(3)13-11(16)15(14-12)10-7-5-4-6-8-10/h4-9,14H,1-3H3,(H,13,16)
InChIKey DAEYJORFHFJBSZ-UHFFFAOYSA-N
NMR Offset 16.524
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2260
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: ZI/6060758; Labnumber: LP-08165; IOH_ID: IOH-002261
Synonyms 5-isopropyl-5-methyl-2-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl hydrosulfide
Temperature 313 °C