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4H-1,2,4-triazole-3-thiol, 5-[[4-(1-methylethoxy)phenyl]methyl]-4-phenyl-
SpectraBase Compound ID IRWEi7Pck3c
InChI InChI=1S/C18H19N3OS/c1-13(2)22-16-10-8-14(9-11-16)12-17-19-20-18(23)21(17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKey TZZVOPDCWJUQRS-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9vHUHiTpwd7
Name 4H-1,2,4-triazole-3-thiol, 5-[[4-(1-methylethoxy)phenyl]methyl]-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 325.124883417 u
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-13(2)22-16-10-8-14(9-11-16)12-17-19-20-18(23)21(17)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,20,23)
InChIKey TZZVOPDCWJUQRS-UHFFFAOYSA-N
Molecular Weight 325.430 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4560
Solvent DMSO-d6
Source Vendor ID: ZI/9049098; Lab Info: ART; Lab Number: TOM-062