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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide
SpectraBase Compound ID 5RtotIOieVH
InChI InChI=1S/C23H27ClN4OS/c1-14-11-15(2)20(18(24)12-14)25-19(29)13-30-22-27-26-21(28(22)6)16-7-9-17(10-8-16)23(3,4)5/h7-12H,13H2,1-6H3,(H,25,29)
InChIKey BIYVQTKUAITGJH-UHFFFAOYSA-N
Mol Weight 443.01 g/mol
Molecular Formula C23H27ClN4OS
Exact Mass 442.15941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ZKJuXnhmZL
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-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/C23H27ClN4OS/c1-14-11-15(2)20(18(24)12-14)25-19(29)13-30-22-27-26-21(28(22)6)16-7-9-17(10-8-16)23(3,4)5/h7-12H,13H2,1-6H3,(H,25,29)
InChIKey BIYVQTKUAITGJH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4095
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: D98551; Labnumber: GRES-22663; SBI_ID: SBI-004097
Temperature 318 °C