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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID H1uZeIAsUs9
InChI InChI=1S/C21H22Cl2N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-25-26-20(27(19)4)29-12-18(28)24-15-9-10-16(22)17(23)11-15/h5-11H,12H2,1-4H3,(H,24,28)
InChIKey NAMABJSELLQDDL-UHFFFAOYSA-N
Mol Weight 449.4 g/mol
Molecular Formula C21H22Cl2N4OS
Exact Mass 448.089138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gw7gcl5dlJq
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dichlorophenyl)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/C21H22Cl2N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-25-26-20(27(19)4)29-12-18(28)24-15-9-10-16(22)17(23)11-15/h5-11H,12H2,1-4H3,(H,24,28)
InChIKey NAMABJSELLQDDL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4931
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: E08390; Labnumber: GRES-37006; SBI_ID: SBI-004933
Temperature 308 °C