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4-allyl-5-[(4-chloro-2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5qxHSgYlh4I
InChI InChI=1S/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,19)
InChIKey NBZQHSIMJLTMAX-UHFFFAOYSA-N
Mol Weight 295.79 g/mol
Molecular Formula C13H14ClN3OS
Exact Mass 295.054611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LedEV2FCFVh
Name 4-allyl-5-[(4-chloro-2-methylphenoxy)methyl]-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/C13H14ClN3OS/c1-3-6-17-12(15-16-13(17)19)8-18-11-5-4-10(14)7-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,16,19)
InChIKey NBZQHSIMJLTMAX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12423
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: 100260; Labnumber: BAD8-0036; VK_ID: VK-012428
Synonyms 4-allyl-5-[(4-chloro-2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C