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4-(4-butylphenyl)-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

View entire compound with spectra: 1 NMR

4-(4-butylphenyl)-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 8HJdi74aujC
InChI InChI=1S/C18H18ClN3S/c1-2-3-4-13-5-11-16(12-6-13)22-17(20-21-18(22)23)14-7-9-15(19)10-8-14/h5-12H,2-4H2,1H3,(H,21,23)
InChIKey AIKFVMXLRZTMMN-UHFFFAOYSA-N
Mol Weight 343.88 g/mol
Molecular Formula C18H18ClN3S
Exact Mass 343.090996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 42VIc8va8N7
Name 4-(4-butylphenyl)-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H18ClN3S/c1-2-3-4-13-5-11-16(12-6-13)22-17(20-21-18(22)23)14-7-9-15(19)10-8-14/h5-12H,2-4H2,1H3,(H,21,23)
InChIKey AIKFVMXLRZTMMN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31878
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1843478; SBI_ID: SBI-031882
Temperature 318 °C