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4-allyl-3-(3-methoxyphenyl)-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
SpectraBase Compound ID CY4udUgmz4X
InChI InChI=1S/C20H21N3OS/c1-4-12-23-19(16-10-7-11-18(13-16)24-3)21-22-20(23)25-14-17-9-6-5-8-15(17)2/h4-11,13H,1,12,14H2,2-3H3
InChIKey BEIMWDCLZLTVAV-UHFFFAOYSA-N
Mol Weight 351.47 g/mol
Molecular Formula C20H21N3OS
Exact Mass 351.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CvT1mhdfs91
Name 4-allyl-3-(3-methoxyphenyl)-5-[(2-methylbenzyl)sulfanyl]-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/C20H21N3OS/c1-4-12-23-19(16-10-7-11-18(13-16)24-3)21-22-20(23)25-14-17-9-6-5-8-15(17)2/h4-11,13H,1,12,14H2,2-3H3
InChIKey BEIMWDCLZLTVAV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11516
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: E06438; Labnumber: GRES-22559; SBI_ID: SBI-011519
Synonyms 3-{4-allyl-5-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature 308 °C