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1,3,5-triazine-2,4-diamine, N~2~-phenyl-6-[[[5-phenyl-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
SpectraBase Compound ID IaZwdNqjyOm
InChI InChI=1S/C25H22N8S/c26-23-28-21(29-24(30-23)27-20-14-8-3-9-15-20)17-34-25-32-31-22(19-12-6-2-7-13-19)33(25)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H3,26,27,28,29,30)
InChIKey RKLMLGIHKNLIKR-UHFFFAOYSA-N
Mol Weight 466.57 g/mol
Molecular Formula C25H22N8S
Exact Mass 466.168814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BivNMKDt15z
Name 1,3,5-triazine-2,4-diamine, N~2~-phenyl-6-[[[5-phenyl-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.168813914 u
Formula C25H22N8S
InChI InChI=1S/C25H22N8S/c26-23-28-21(29-24(30-23)27-20-14-8-3-9-15-20)17-34-25-32-31-22(19-12-6-2-7-13-19)33(25)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H3,26,27,28,29,30)
InChIKey RKLMLGIHKNLIKR-UHFFFAOYSA-N
Molecular Weight 466.567 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9160
Solvent DMSO-d6
Source Vendor ID: NMR/9215750; Lab Info: LP; Lab Number: LP-2190124