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5-Methyl-5-(4-methylphenyl)-2-phenyl-1,2,4-triazolidine-3-thione
SpectraBase Compound ID 5KJCcdsfkJ8
InChI InChI=1S/C16H17N3S/c1-12-8-10-13(11-9-12)16(2)17-15(20)19(18-16)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H,17,20)
InChIKey IJLLTOIPNDQKOY-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C16H17N3S
Exact Mass 283.114319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4gSpQF3vzRM
Name 1,2,4-triazolidine-3-thione, 5-methyl-5-(4-methylphenyl)-2-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 283.114318733 u
Formula C16H17N3S
InChI InChI=1S/C16H17N3S/c1-12-8-10-13(11-9-12)16(2)17-15(20)19(18-16)14-6-4-3-5-7-14/h3-11,18H,1-2H3,(H,17,20)
InChIKey IJLLTOIPNDQKOY-UHFFFAOYSA-N
Molecular Weight 283.393 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9932
Solvent DMSO-d6
Source Vendor ID: NMR/9302784; Lab Info: LP; Lab Number: LP-0801285