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

*Links on SpectraBase are not permalinks.
pyridine, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,5-dinitro-
SpectraBase Compound ID L3g4csc96Eq
InChI InChI=1S/C23H20N6O4S/c1-23(2,3)16-11-9-15(10-12-16)20-25-26-22(27(20)17-7-5-4-6-8-17)34-21-19(29(32)33)13-18(14-24-21)28(30)31/h4-14H,1-3H3
InChIKey KIMGPONDUUOCAI-UHFFFAOYSA-N
Mol Weight 476.51 g/mol
Molecular Formula C23H20N6O4S
Exact Mass 476.126674 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 E0pQkkyzjbN
Name pyridine, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-3,5-dinitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.126674318 u
Formula C23H20N6O4S
InChI InChI=1S/C23H20N6O4S/c1-23(2,3)16-11-9-15(10-12-16)20-25-26-22(27(20)17-7-5-4-6-8-17)34-21-19(29(32)33)13-18(14-24-21)28(30)31/h4-14H,1-3H3
InChIKey KIMGPONDUUOCAI-UHFFFAOYSA-N
Molecular Weight 476.511 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_42
Solvent DMSO-d6
Source Vendor ID: NMR/8211572; Lab Info: LP; Lab Number: LP-2180320
Temperature 29.85 °C