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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone

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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
SpectraBase Compound ID 2CnHLLgQyL7
InChI InChI=1S/C22H14Cl2FN3OS/c23-15-7-11-17(12-8-15)28-21(18-3-1-2-4-19(18)24)26-27-22(28)30-13-20(29)14-5-9-16(25)10-6-14/h1-12H,13H2
InChIKey ZYSZFQCPTIPXFV-UHFFFAOYSA-N
Mol Weight 458.34 g/mol
Molecular Formula C22H14Cl2FN3OS
Exact Mass 457.021867 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOkbllk6PwS
Name 2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
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/C22H14Cl2FN3OS/c23-15-7-11-17(12-8-15)28-21(18-3-1-2-4-19(18)24)26-27-22(28)30-13-20(29)14-5-9-16(25)10-6-14/h1-12H,13H2
InChIKey ZYSZFQCPTIPXFV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3848
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: D98127; Labnumber: GRES-16213; SBI_ID: SBI-003850
Temperature 318 °C