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4-allyl-3-[(2,5-dimethylbenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID DyghgCg1ln0
InChI InChI=1S/C21H23N3S/c1-5-11-24-20(18-8-6-7-15(2)12-18)22-23-21(24)25-14-19-13-16(3)9-10-17(19)4/h5-10,12-13H,1,11,14H2,2-4H3
InChIKey IZLRLJSDRQMFRB-UHFFFAOYSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H23N3S
Exact Mass 349.161269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ZreCCmbT6i
Name 4-allyl-3-[(2,5-dimethylbenzyl)sulfanyl]-5-(3-methylphenyl)-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/C21H23N3S/c1-5-11-24-20(18-8-6-7-15(2)12-18)22-23-21(24)25-14-19-13-16(3)9-10-17(19)4/h5-10,12-13H,1,11,14H2,2-4H3
InChIKey IZLRLJSDRQMFRB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11285
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: E06585; Labnumber: GRES-25364; SBI_ID: SBI-011288
Synonyms 4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl 2,5-dimethylbenzyl sulfide
Temperature 308 °C