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2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 1sdLRgM68SV
InChI InChI=1S/C24H20ClN3O3S/c1-30-20-11-7-17(8-12-20)22(29)16-32-24-27-26-23(28(24)19-5-3-2-4-6-19)15-31-21-13-9-18(25)10-14-21/h2-14H,15-16H2,1H3
InChIKey VBEHSUPKQWIOAU-UHFFFAOYSA-N
Mol Weight 465.96 g/mol
Molecular Formula C24H20ClN3O3S
Exact Mass 465.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9VQMM3XzZu1
Name 2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
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/C24H20ClN3O3S/c1-30-20-11-7-17(8-12-20)22(29)16-32-24-27-26-23(28(24)19-5-3-2-4-6-19)15-31-21-13-9-18(25)10-14-21/h2-14H,15-16H2,1H3
InChIKey VBEHSUPKQWIOAU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6836
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: UZI/8188751; UBI_ID: UBI-006838
Temperature 308 °C