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1,3,5-triazine-2,4-diamine, 6-[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-N~2~-
SpectraBase Compound ID 3rELOYBa81P
InChI InChI=1S/C29H30N8OS/c1-29(2,3)20-14-16-23(17-15-20)38-18-25-35-36-28(37(25)22-12-8-5-9-13-22)39-19-24-32-26(30)34-27(33-24)31-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H3,30,31,32,33,34)
InChIKey APWXUUUOFBYSOS-UHFFFAOYSA-N
Mol Weight 538.67 g/mol
Molecular Formula C29H30N8OS
Exact Mass 538.226329 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LUp07aOJYev
Name 1,3,5-triazine-2,4-diamine, 6-[[[5-[[4-(1,1-dimethylethyl)phenoxy]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]methyl]-N~2~-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.226328791 u
Formula C29H30N8OS
InChI InChI=1S/C29H30N8OS/c1-29(2,3)20-14-16-23(17-15-20)38-18-25-35-36-28(37(25)22-12-8-5-9-13-22)39-19-24-32-26(30)34-27(33-24)31-21-10-6-4-7-11-21/h4-17H,18-19H2,1-3H3,(H3,30,31,32,33,34)
InChIKey APWXUUUOFBYSOS-UHFFFAOYSA-N
Molecular Weight 538.674 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13938
Solvent DMSO-d6
Source Vendor ID: NMR/10300312; Lab Info: LP; Lab Number: LP-2180470