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acetamide, N-(5-chloro-2-methylphenyl)-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-

View entire compound with spectra: 2 NMR

acetamide, N-(5-chloro-2-methylphenyl)-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID 3ZvBxzXV0YN
InChI InChI=1S/C27H27ClN4OS/c1-18-10-15-21(28)16-23(18)29-24(33)17-34-26-31-30-25(32(26)22-8-6-5-7-9-22)19-11-13-20(14-12-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey LLIGDSPROCJYSL-UHFFFAOYSA-N
Mol Weight 491.05 g/mol
Molecular Formula C27H27ClN4OS
Exact Mass 490.15941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WHUD4hx3h2
Name 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)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/C27H27ClN4OS/c1-18-10-15-21(28)16-23(18)29-24(33)17-34-26-31-30-25(32(26)22-8-6-5-7-9-22)19-11-13-20(14-12-19)27(2,3)4/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey LLIGDSPROCJYSL-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4847
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: E08239; Labnumber: GRES-36824; SBI_ID: SBI-004849
Temperature 315 °C