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4H-1,2,4-triazole, 3-[[(2-chloro-6-nitrophenyl)methyl]thio]-4,5-diphenyl-
SpectraBase Compound ID 3bcCpaE9O35
InChI InChI=1S/C21H15ClN4O2S/c22-18-12-7-13-19(26(27)28)17(18)14-29-21-24-23-20(15-8-3-1-4-9-15)25(21)16-10-5-2-6-11-16/h1-13H,14H2
InChIKey KKGPYFDFKDQXEQ-UHFFFAOYSA-N
Mol Weight 422.89 g/mol
Molecular Formula C21H15ClN4O2S
Exact Mass 422.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EdCXJx9b9MJ
Name 4H-1,2,4-triazole, 3-[[(2-chloro-6-nitrophenyl)methyl]thio]-4,5-diphenyl-
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/C21H15ClN4O2S/c22-18-12-7-13-19(26(27)28)17(18)14-29-21-24-23-20(15-8-3-1-4-9-15)25(21)16-10-5-2-6-11-16/h1-13H,14H2
InChIKey KKGPYFDFKDQXEQ-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1756
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: NMR/9223073; Labnumber: LP-2190366
Temperature 297 °C