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4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-(4-chlorophenyl)-4H-1,2,4-triazole
SpectraBase Compound ID CfyvgbVhBG
InChI InChI=1S/C18H15BrClN3S/c1-2-11-23-17(14-5-9-16(20)10-6-14)21-22-18(23)24-12-13-3-7-15(19)8-4-13/h2-10H,1,11-12H2
InChIKey UGGUBBQDDRFOIS-UHFFFAOYSA-N
Mol Weight 420.76 g/mol
Molecular Formula C18H15BrClN3S
Exact Mass 418.985859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZXyBnKDLa9
Name 4-allyl-3-[(4-bromobenzyl)sulfanyl]-5-(4-chlorophenyl)-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/C18H15BrClN3S/c1-2-11-23-17(14-5-9-16(20)10-6-14)21-22-18(23)24-12-13-3-7-15(19)8-4-13/h2-10H,1,11-12H2
InChIKey UGGUBBQDDRFOIS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4115
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: D98595; Labnumber: GRES-23353; SBI_ID: SBI-004117
Synonyms 4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 4-bromobenzyl sulfide
Temperature 318 °C