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4-allyl-5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KsucV8FzQ3L
InChI InChI=1S/C15H18ClN3OS/c1-5-8-19-13(17-18-14(19)21)15(3,4)20-11-6-7-12(16)10(2)9-11/h5-7,9H,1,8H2,2-4H3,(H,18,21)
InChIKey NCAFTSOYWJHKKY-UHFFFAOYSA-N
Mol Weight 323.84 g/mol
Molecular Formula C15H18ClN3OS
Exact Mass 323.085911 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9S8oJqzyZSg
Name 4-allyl-5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-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/C15H18ClN3OS/c1-5-8-19-13(17-18-14(19)21)15(3,4)20-11-6-7-12(16)10(2)9-11/h5-7,9H,1,8H2,2-4H3,(H,18,21)
InChIKey NCAFTSOYWJHKKY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7546
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/1268265; Labnumber: COL5382; UZI_ID: UZI-007548
Synonyms 4-allyl-5-[1-(4-chloro-3-methylphenoxy)-1-methylethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C