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1,2,4-triazolidine-3-thione, 5-butyl-2-(4-chlorophenyl)-5-phenyl-
SpectraBase Compound ID DXvVHxZnTKw
InChI InChI=1S/C18H20ClN3S/c1-2-3-13-18(14-7-5-4-6-8-14)20-17(23)22(21-18)16-11-9-15(19)10-12-16/h4-12,21H,2-3,13H2,1H3,(H,20,23)
InChIKey UEZHTRNJUJQBQN-UHFFFAOYSA-N
Mol Weight 345.89 g/mol
Molecular Formula C18H20ClN3S
Exact Mass 345.106647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bb7jHgUDrzk
Name 1,2,4-triazolidine-3-thione, 5-butyl-2-(4-chlorophenyl)-5-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 345.106646530 u
Formula C18H20ClN3S
InChI InChI=1S/C18H20ClN3S/c1-2-3-13-18(14-7-5-4-6-8-14)20-17(23)22(21-18)16-11-9-15(19)10-12-16/h4-12,21H,2-3,13H2,1H3,(H,20,23)
InChIKey UEZHTRNJUJQBQN-UHFFFAOYSA-N
Molecular Weight 345.892 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7629
Solvent DMSO-d6
Source Vendor ID: NMR/9273636; Lab Info: LP; Lab Number: LP-0801221
Temperature 23.85 °C