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

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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID A6wmOz0pJxI
InChI InChI=1S/C23H28N4O3S/c1-23(2,3)16-9-7-15(8-10-16)21-25-26-22(27(21)4)31-14-20(28)24-18-12-11-17(29-5)13-19(18)30-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKey WLQLEGPSZXHSSN-UHFFFAOYSA-N
Mol Weight 440.56 g/mol
Molecular Formula C23H28N4O3S
Exact Mass 440.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6BRpKqsCyYw
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)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/C23H28N4O3S/c1-23(2,3)16-9-7-15(8-10-16)21-25-26-22(27(21)4)31-14-20(28)24-18-12-11-17(29-5)13-19(18)30-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKey WLQLEGPSZXHSSN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4028
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: D98433; Labnumber: GRES-20917; SBI_ID: SBI-004030
Temperature 308 °C