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2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
SpectraBase Compound ID 3d9asN0VTSM
InChI InChI=1S/C23H18FN7OS/c24-16-7-6-8-17(13-16)25-22(32)15-33-23-28-27-21(31(23)18-9-2-1-3-10-18)14-30-20-12-5-4-11-19(20)26-29-30/h1-13H,14-15H2,(H,25,32)
InChIKey ISUKRTMMZGIQQN-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C23H18FN7OS
Exact Mass 459.127758 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98XkI9aCpT9
Name 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-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/C23H18FN7OS/c24-16-7-6-8-17(13-16)25-22(32)15-33-23-28-27-21(31(23)18-9-2-1-3-10-18)14-30-20-12-5-4-11-19(20)26-29-30/h1-13H,14-15H2,(H,25,32)
InChIKey ISUKRTMMZGIQQN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2559
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: UZI/8056523; UBI_ID: UBI-002560
Temperature 308 °C