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

View entire compound with spectra: 1 NMR

1,2,4-triazolidine-3-thione, 2-(4-chlorophenyl)-5-methyl-5-pentyl-
SpectraBase Compound ID BnO5dfOKg38
InChI InChI=1S/C14H20ClN3S/c1-3-4-5-10-14(2)16-13(19)18(17-14)12-8-6-11(15)7-9-12/h6-9,17H,3-5,10H2,1-2H3,(H,16,19)
InChIKey ISRBXXCUXQFMDW-UHFFFAOYSA-N
Mol Weight 297.85 g/mol
Molecular Formula C14H20ClN3S
Exact Mass 297.106647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMkhPqeIykQ
Name 1,2,4-triazolidine-3-thione, 2-(4-chlorophenyl)-5-methyl-5-pentyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.106646530 u
Formula C14H20ClN3S
InChI InChI=1S/C14H20ClN3S/c1-3-4-5-10-14(2)16-13(19)18(17-14)12-8-6-11(15)7-9-12/h6-9,17H,3-5,10H2,1-2H3,(H,16,19)
InChIKey ISRBXXCUXQFMDW-UHFFFAOYSA-N
Molecular Weight 297.848 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8704
Solvent DMSO-d6
Source Vendor ID: NMR/9264183; Lab Info: LD; Lab Number: LD-F000070