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4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR

4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 6A9bG2Y5bnt
InChI InChI=1S/C15H18ClN3OS/c1-4-7-19-14(17-18-15(19)21)9-11-5-6-13(12(16)8-11)20-10(2)3/h4-6,8,10H,1,7,9H2,2-3H3,(H,18,21)
InChIKey VOWKDJWXPQPUQU-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 JCcGtjPVmXN
Name 4-allyl-5-(3-chloro-4-isopropoxybenzyl)-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/c1-4-7-19-14(17-18-15(19)21)9-11-5-6-13(12(16)8-11)20-10(2)3/h4-6,8,10H,1,7,9H2,2-3H3,(H,18,21)
InChIKey VOWKDJWXPQPUQU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26647
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: D63720; Labnumber: AEKA03-0252; SBI_ID: SBI-026651
Synonyms 4-allyl-5-(3-chloro-4-isopropoxybenzyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 315 °C