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3-[(4-bromobenzyl)sulfanyl]-4,5-bis(4-chlorophenyl)-4H-1,2,4-triazole
SpectraBase Compound ID DH701eZyA3M
InChI InChI=1S/C21H14BrCl2N3S/c22-16-5-1-14(2-6-16)13-28-21-26-25-20(15-3-7-17(23)8-4-15)27(21)19-11-9-18(24)10-12-19/h1-12H,13H2
InChIKey DXKHBAYJXRXIEE-UHFFFAOYSA-N
Mol Weight 491.23 g/mol
Molecular Formula C21H14BrCl2N3S
Exact Mass 488.946887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D66MRzJORvT
Name 3-[(4-bromobenzyl)sulfanyl]-4,5-bis(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/C21H14BrCl2N3S/c22-16-5-1-14(2-6-16)13-28-21-26-25-20(15-3-7-17(23)8-4-15)27(21)19-11-9-18(24)10-12-19/h1-12H,13H2
InChIKey DXKHBAYJXRXIEE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4391
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: D98932; Labnumber: GRES-28692; SBI_ID: SBI-004393
Synonyms 4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 4-bromobenzyl sulfide
Temperature 306 °C