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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide

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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID G64NewWiy8E
InChI InChI=1S/C21H23ClN4O2S/c1-4-26-19(12-28-17-9-7-16(22)8-10-17)24-25-21(26)29-13-20(27)23-18-11-14(2)5-6-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKey VVCFPGYMQYJKKT-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 EDseFgrE2W
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dimethylphenyl)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/c1-4-26-19(12-28-17-9-7-16(22)8-10-17)24-25-21(26)29-13-20(27)23-18-11-14(2)5-6-15(18)3/h5-11H,4,12-13H2,1-3H3,(H,23,27)
InChIKey VVCFPGYMQYJKKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11391
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: E06918; Labnumber: GRES-31713; SBI_ID: SBI-011394
Temperature 318 °C