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4-allyl-3-[(2-methylbenzyl)sulfanyl]-5-(3-methylphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 48JryKYVd85
InChI InChI=1S/C20H21N3S/c1-4-12-23-19(17-11-7-8-15(2)13-17)21-22-20(23)24-14-18-10-6-5-9-16(18)3/h4-11,13H,1,12,14H2,2-3H3
InChIKey UOBGVLUBJTUDEK-UHFFFAOYSA-N
Mol Weight 335.47 g/mol
Molecular Formula C20H21N3S
Exact Mass 335.145619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWdsi1nWhHT
Name 4-allyl-3-[(2-methylbenzyl)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/C20H21N3S/c1-4-12-23-19(17-11-7-8-15(2)13-17)21-22-20(23)24-14-18-10-6-5-9-16(18)3/h4-11,13H,1,12,14H2,2-3H3
InChIKey UOBGVLUBJTUDEK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11376
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: E06694; Labnumber: GRES-27781; SBI_ID: SBI-011379
Synonyms 4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl 2-methylbenzyl sulfide
Temperature 318 °C