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4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 79OSocm1gOQ
InChI InChI=1S/C19H18BrN3OS/c1-3-11-23-18(15-5-4-6-17(12-15)24-2)21-22-19(23)25-13-14-7-9-16(20)10-8-14/h3-10,12H,1,11,13H2,2H3
InChIKey ZKDNTNLPDGZNJD-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C19H18BrN3OS
Exact Mass 415.035396 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EI9yisTt4H6
Name 4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-(3-methoxyphenyl)-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/C19H18BrN3OS/c1-3-11-23-18(15-5-4-6-17(12-15)24-2)21-22-19(23)25-13-14-7-9-16(20)10-8-14/h3-10,12H,1,11,13H2,2H3
InChIKey ZKDNTNLPDGZNJD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11508
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: E06425; Labnumber: GRES-22430; SBI_ID: SBI-011511
Synonyms 3-{4-allyl-5-[(4-bromobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl methyl ether
Temperature 308 °C