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5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-4-isobutyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID A5xWMmk5lL0
InChI InChI=1S/C16H22ClN3OS/c1-10(2)9-20-14(18-19-15(20)22)16(4,5)21-12-6-7-13(17)11(3)8-12/h6-8,10H,9H2,1-5H3,(H,19,22)
InChIKey GTNCIGIUBBAYRT-UHFFFAOYSA-N
Mol Weight 339.89 g/mol
Molecular Formula C16H22ClN3OS
Exact Mass 339.117211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CmGaiPFojo
Name 5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-4-isobutyl-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/C16H22ClN3OS/c1-10(2)9-20-14(18-19-15(20)22)16(4,5)21-12-6-7-13(17)11(3)8-12/h6-8,10H,9H2,1-5H3,(H,19,22)
InChIKey GTNCIGIUBBAYRT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7545
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: UZI/1269928; Labnumber: COL5377; UZI_ID: UZI-007547
Synonyms 5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C