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4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2,5-dimethylbenzyl sulfide

View entire compound with spectra: 1 NMR

4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2,5-dimethylbenzyl sulfide
SpectraBase Compound ID 8ACF23xbyjn
InChI InChI=1S/C23H19Cl2N3S/c1-15-3-4-16(2)18(13-15)14-29-23-27-26-22(17-5-7-19(24)8-6-17)28(23)21-11-9-20(25)10-12-21/h3-13H,14H2,1-2H3
InChIKey QUCLIYOINHWWKM-UHFFFAOYSA-N
Mol Weight 440.39 g/mol
Molecular Formula C23H19Cl2N3S
Exact Mass 439.067674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMjAm8jpIZc
Name 4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl 2,5-dimethylbenzyl sulfide
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/C23H19Cl2N3S/c1-15-3-4-16(2)18(13-15)14-29-23-27-26-22(17-5-7-19(24)8-6-17)28(23)21-11-9-20(25)10-12-21/h3-13H,14H2,1-2H3
InChIKey QUCLIYOINHWWKM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14297
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: D98093; Labnumber: GRES-15679; SBI_ID: SBI-014300
Synonyms 3,4-bis(4-chlorophenyl)-5-[(2,5-dimethylbenzyl)sulfanyl]-4H-1,2,4-triazole
Temperature 308 °C