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

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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID DgTZEFBQRdb
InChI InChI=1S/C23H28N4OS/c1-15-7-8-16(2)19(13-15)24-20(28)14-29-22-26-25-21(27(22)6)17-9-11-18(12-10-17)23(3,4)5/h7-13H,14H2,1-6H3,(H,24,28)
InChIKey KUGKVDKSZALFMV-UHFFFAOYSA-N
Mol Weight 408.56 g/mol
Molecular Formula C23H28N4OS
Exact Mass 408.198383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 53BwpExZh3N
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-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/C23H28N4OS/c1-15-7-8-16(2)19(13-15)24-20(28)14-29-22-26-25-21(27(22)6)17-9-11-18(12-10-17)23(3,4)5/h7-13H,14H2,1-6H3,(H,24,28)
InChIKey KUGKVDKSZALFMV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4333
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: D98833; Labnumber: GRES-26998; SBI_ID: SBI-004335
Temperature 306 °C