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2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID 80RItRV57KP
InChI InChI=1S/C18H16ClFN4OS/c1-2-24-17(14-8-3-4-9-15(14)19)22-23-18(24)26-11-16(25)21-13-7-5-6-12(20)10-13/h3-10H,2,11H2,1H3,(H,21,25)
InChIKey MSMKKJRDPCASHD-UHFFFAOYSA-N
Mol Weight 390.86 g/mol
Molecular Formula C18H16ClFN4OS
Exact Mass 390.071738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4dUGkzPEc4V
Name 2-{[5-(2-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
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/C18H16ClFN4OS/c1-2-24-17(14-8-3-4-9-15(14)19)22-23-18(24)26-11-16(25)21-13-7-5-6-12(20)10-13/h3-10H,2,11H2,1H3,(H,21,25)
InChIKey MSMKKJRDPCASHD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4415
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: D98971; Labnumber: GRES-29386; SBI_ID: SBI-004417
Temperature 308 °C