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4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-5-[[(4-methoxyphenyl)methyl]thio]-4-phenyl-
SpectraBase Compound ID 2v3miYnsFCZ
InChI InChI=1S/C26H27N3OS/c1-26(2,3)21-14-12-20(13-15-21)24-27-28-25(29(24)22-8-6-5-7-9-22)31-18-19-10-16-23(30-4)17-11-19/h5-17H,18H2,1-4H3
InChIKey RXTKSKCVVISZMV-UHFFFAOYSA-N
Mol Weight 429.58 g/mol
Molecular Formula C26H27N3OS
Exact Mass 429.187484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JPti8jVxZNg
Name 4H-1,2,4-triazole, 3-[4-(1,1-dimethylethyl)phenyl]-5-[[(4-methoxyphenyl)methyl]thio]-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.187483674 u
Formula C26H27N3OS
InChI InChI=1S/C26H27N3OS/c1-26(2,3)21-14-12-20(13-15-21)24-27-28-25(29(24)22-8-6-5-7-9-22)31-18-19-10-16-23(30-4)17-11-19/h5-17H,18H2,1-4H3
InChIKey RXTKSKCVVISZMV-UHFFFAOYSA-N
Molecular Weight 429.582 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14176
Solvent DMSO-d6
Source Vendor ID: NMR/10300259; Lab Info: LP; Lab Number: LP-2179126