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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-5-nitropyridine
SpectraBase Compound ID 2QBw0GSAVb2
InChI InChI=1S/C24H23N5O3S/c1-24(2,3)17-9-12-20(13-10-17)32-16-21-26-27-23(28(21)18-7-5-4-6-8-18)33-22-14-11-19(15-25-22)29(30)31/h4-15H,16H2,1-3H3
InChIKey YFPYLPGHKFDPSY-UHFFFAOYSA-N
Mol Weight 461.54 g/mol
Molecular Formula C24H23N5O3S
Exact Mass 461.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID qau5Gviwpj
Name pyridine, 2-[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-5-nitro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.152160792 u
Formula C24H23N5O3S
InChI InChI=1S/C24H23N5O3S/c1-24(2,3)17-9-12-20(13-10-17)32-16-21-26-27-23(28(21)18-7-5-4-6-8-18)33-22-14-11-19(15-25-22)29(30)31/h4-15H,16H2,1-3H3
InChIKey YFPYLPGHKFDPSY-UHFFFAOYSA-N
Molecular Weight 461.540 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2472
Solvent DMSO-d6
Source Vendor ID: NMR/9213438; Lab Info: LP; Lab Number: LP-2190263