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4-allyl-3-[(2-chlorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 2XVEHLlaGG
InChI InChI=1S/C18H16ClN3S/c1-2-12-22-17(14-8-4-3-5-9-14)20-21-18(22)23-13-15-10-6-7-11-16(15)19/h2-11H,1,12-13H2
InChIKey OGGRWBAEHABIGP-UHFFFAOYSA-N
Mol Weight 341.86 g/mol
Molecular Formula C18H16ClN3S
Exact Mass 341.075346 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GUfu7bhygDv
Name 4-allyl-3-[(2-chlorobenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
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/C18H16ClN3S/c1-2-12-22-17(14-8-4-3-5-9-14)20-21-18(22)23-13-15-10-6-7-11-16(15)19/h2-11H,1,12-13H2
InChIKey OGGRWBAEHABIGP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4862
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: E08259; Labnumber: GRES-36846; SBI_ID: SBI-004864
Synonyms 4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl 2-chlorobenzyl sulfide
Temperature 315 °C