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3-Phenyl-5-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methylsulfanyl]-1,2,4-triazol-4-amine
SpectraBase Compound ID B0l9MLZ1jZZ
InChI InChI=1S/C17H14F4N4OS/c18-15(19)17(20,21)26-13-8-6-11(7-9-13)10-27-16-24-23-14(25(16)22)12-4-2-1-3-5-12/h1-9,15H,10,22H2
InChIKey OKRKNDUJLHTKOP-UHFFFAOYSA-N
Mol Weight 398.38 g/mol
Molecular Formula C17H14F4N4OS
Exact Mass 398.082445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7hguDL4A2Zm
Name 4H-1,2,4-triazol-4-amine, 3-phenyl-5-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.082444912 u
Formula C17H14F4N4OS
InChI InChI=1S/C17H14F4N4OS/c18-15(19)17(20,21)26-13-8-6-11(7-9-13)10-27-16-24-23-14(25(16)22)12-4-2-1-3-5-12/h1-9,15H,10,22H2
InChIKey OKRKNDUJLHTKOP-UHFFFAOYSA-N
Molecular Weight 398.380 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7823
Solvent DMSO-d6
Source Vendor ID: NMR/10231774; Lab Info: LP; Lab Number: LP-2100328