For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1FHWJ6aaIBj
Name acetamide, N-(5-chloro-2-methylphenyl)-2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.159410378 u
Formula C27H27ClN4OS
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
Molecular Weight 491.053 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_41
Solvent DMSO-d6
Source Vendor ID: NMR/8211371; Lab Info: LP; Lab Number: LP-2180244
Temperature 29.85 °C