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N-(2-chloro-4,6-dimethylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DroqYsCejtm
InChI InChI=1S/C21H23ClN4O2S/c1-5-26-20(15-7-6-8-16(11-15)28-4)24-25-21(26)29-12-18(27)23-19-14(3)9-13(2)10-17(19)22/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey LOQOIAQTIIJGBN-UHFFFAOYSA-N
Mol Weight 430.95 g/mol
Molecular Formula C21H23ClN4O2S
Exact Mass 430.123025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KErJlcDheoo
Name N-(2-chloro-4,6-dimethylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-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/C21H23ClN4O2S/c1-5-26-20(15-7-6-8-16(11-15)28-4)24-25-21(26)29-12-18(27)23-19-14(3)9-13(2)10-17(19)22/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey LOQOIAQTIIJGBN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11476
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: E06381; Labnumber: GRES-21741; SBI_ID: SBI-011479
Temperature 308 °C