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2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID HJHHNlLb3aT
InChI InChI=1S/C24H20N6O2S/c1-32-19-13-11-17(12-14-19)22(31)16-33-24-27-26-23(30(24)18-7-3-2-4-8-18)15-29-21-10-6-5-9-20(21)25-28-29/h2-14H,15-16H2,1H3
InChIKey HWCFUNMKQUWBCS-UHFFFAOYSA-N
Mol Weight 456.52 g/mol
Molecular Formula C24H20N6O2S
Exact Mass 456.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kgrh4nCbGEE
Name 2-{[5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)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/C24H20N6O2S/c1-32-19-13-11-17(12-14-19)22(31)16-33-24-27-26-23(30(24)18-7-3-2-4-8-18)15-29-21-10-6-5-9-20(21)25-28-29/h2-14H,15-16H2,1H3
InChIKey HWCFUNMKQUWBCS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3284
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/8085048; UBI_ID: UBI-003285
Temperature 308 °C