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N-(2-chloro-4,6-dimethylphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1Je2ZxEoFNW
InChI InChI=1S/C18H18ClN5OS/c1-11-7-12(2)16(14(19)8-11)21-15(25)10-26-18-23-22-17(24(18)3)13-5-4-6-20-9-13/h4-9H,10H2,1-3H3,(H,21,25)
InChIKey WSHYIJOUJRKTQT-UHFFFAOYSA-N
Mol Weight 387.89 g/mol
Molecular Formula C18H18ClN5OS
Exact Mass 387.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6yLL0uN8M5g
Name N-(2-chloro-4,6-dimethylphenyl)-2-{[4-methyl-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/C18H18ClN5OS/c1-11-7-12(2)16(14(19)8-11)21-15(25)10-26-18-23-22-17(24(18)3)13-5-4-6-20-9-13/h4-9H,10H2,1-3H3,(H,21,25)
InChIKey WSHYIJOUJRKTQT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12441
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: D74558; Labnumber: GRESKO-2556; SBI_ID: SBI-012444
Temperature 318 °C