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N-(2-chloro-4,6-dimethylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID I7ZBLvkuS9l
InChI InChI=1S/C22H25ClN4O2S/c1-5-27-19(12-29-17-8-6-14(2)7-9-17)25-26-22(27)30-13-20(28)24-21-16(4)10-15(3)11-18(21)23/h6-11H,5,12-13H2,1-4H3,(H,24,28)
InChIKey SLLIEPVDHBPLQI-UHFFFAOYSA-N
Mol Weight 444.98 g/mol
Molecular Formula C22H25ClN4O2S
Exact Mass 444.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G4VLEqRT9fq
Name N-(2-chloro-4,6-dimethylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-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/C22H25ClN4O2S/c1-5-27-19(12-29-17-8-6-14(2)7-9-17)25-26-22(27)30-13-20(28)24-21-16(4)10-15(3)11-18(21)23/h6-11H,5,12-13H2,1-4H3,(H,24,28)
InChIKey SLLIEPVDHBPLQI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11407
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: E06939; Labnumber: GRES-32165; SBI_ID: SBI-011410
Temperature 318 °C