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1-mesityl-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

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1-mesityl-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
SpectraBase Compound ID Bgrz6JAUxiE
InChI InChI=1S/C27H27N3O2S/c1-18-10-12-22(13-11-18)30-25(16-32-23-8-6-5-7-9-23)28-29-27(30)33-17-24(31)26-20(3)14-19(2)15-21(26)4/h5-15H,16-17H2,1-4H3
InChIKey KJFPFKGTRAJWBX-UHFFFAOYSA-N
Mol Weight 457.59 g/mol
Molecular Formula C27H27N3O2S
Exact Mass 457.182398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Qeik1VighD
Name 1-mesityl-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C27H27N3O2S/c1-18-10-12-22(13-11-18)30-25(16-32-23-8-6-5-7-9-23)28-29-27(30)33-17-24(31)26-20(3)14-19(2)15-21(26)4/h5-15H,16-17H2,1-4H3
InChIKey KJFPFKGTRAJWBX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5446
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: NMR/11221578; Labnumber: 0520; IOH_ID: IOH-005447