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N-(4-methylbenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5QyR5A8SyAa
InChI InChI=1S/C23H21N5OS/c1-17-9-11-18(12-10-17)14-25-21(29)16-30-23-27-26-22(19-6-5-13-24-15-19)28(23)20-7-3-2-4-8-20/h2-13,15H,14,16H2,1H3,(H,25,29)
InChIKey AMLKRLKLPZDZHC-UHFFFAOYSA-N
Mol Weight 415.52 g/mol
Molecular Formula C23H21N5OS
Exact Mass 415.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8zgUSREehCy
Name N-(4-methylbenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C23H21N5OS/c1-17-9-11-18(12-10-17)14-25-21(29)16-30-23-27-26-22(19-6-5-13-24-15-19)28(23)20-7-3-2-4-8-20/h2-13,15H,14,16H2,1H3,(H,25,29)
InChIKey AMLKRLKLPZDZHC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27358
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: D76279; Labnumber: MOR-8626; SBI_ID: SBI-027362
Temperature 315 °C