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1,2,4-triazolidine-3-thione, 2-(4-chlorophenyl)-5-methyl-5-(2-phenylethyl)-

View entire compound with spectra: 1 NMR

1,2,4-triazolidine-3-thione, 2-(4-chlorophenyl)-5-methyl-5-(2-phenylethyl)-
SpectraBase Compound ID 1TcgaAfcQ7E
InChI InChI=1S/C17H18ClN3S/c1-17(12-11-13-5-3-2-4-6-13)19-16(22)21(20-17)15-9-7-14(18)8-10-15/h2-10,20H,11-12H2,1H3,(H,19,22)
InChIKey SRYZLHOQNKMAKS-UHFFFAOYSA-N
Mol Weight 331.87 g/mol
Molecular Formula C17H18ClN3S
Exact Mass 331.090996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Ebzr0Calp5
Name 1,2,4-triazolidine-3-thione, 2-(4-chlorophenyl)-5-methyl-5-(2-phenylethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.090996466 u
Formula C17H18ClN3S
InChI InChI=1S/C17H18ClN3S/c1-17(12-11-13-5-3-2-4-6-13)19-16(22)21(20-17)15-9-7-14(18)8-10-15/h2-10,20H,11-12H2,1H3,(H,19,22)
InChIKey SRYZLHOQNKMAKS-UHFFFAOYSA-N
Molecular Weight 331.865 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9180
Solvent DMSO-d6
Source Vendor ID: NMR/9264178; Lab Info: LD; Lab Number: LD-F000062