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1-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone

View entire compound with spectra: 1 NMR

1-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
SpectraBase Compound ID KtH2hvBmD9V
InChI InChI=1S/C16H20ClN3OS/c1-5-20-14(11-6-8-12(17)9-7-11)18-19-15(20)22-10-13(21)16(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey XDWRYHHAVJUACR-UHFFFAOYSA-N
Mol Weight 337.87 g/mol
Molecular Formula C16H20ClN3OS
Exact Mass 337.101561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1QGF4YLjlRP
Name 1-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethyl-2-butanone
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/C16H20ClN3OS/c1-5-20-14(11-6-8-12(17)9-7-11)18-19-15(20)22-10-13(21)16(2,3)4/h6-9H,5,10H2,1-4H3
InChIKey XDWRYHHAVJUACR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4909
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: E08353; Labnumber: GRES-36959; SBI_ID: SBI-004911
Temperature 308 °C