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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-mesitylacetamide

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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-mesitylacetamide
SpectraBase Compound ID GFUzJXtxr4S
InChI InChI=1S/C30H34N4O2S/c1-20-16-21(2)28(22(3)17-20)31-27(35)19-37-29-33-32-26(34(29)24-10-8-7-9-11-24)18-36-25-14-12-23(13-15-25)30(4,5)6/h7-17H,18-19H2,1-6H3,(H,31,35)
InChIKey RALRABKMJWACOZ-UHFFFAOYSA-N
Mol Weight 514.7 g/mol
Molecular Formula C30H34N4O2S
Exact Mass 514.240248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ba2cVb5dwVl
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-mesitylacetamide
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/C30H34N4O2S/c1-20-16-21(2)28(22(3)17-20)31-27(35)19-37-29-33-32-26(34(29)24-10-8-7-9-11-24)18-36-25-14-12-23(13-15-25)30(4,5)6/h7-17H,18-19H2,1-6H3,(H,31,35)
InChIKey RALRABKMJWACOZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6429
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/11252609; Labnumber: 1314; IOH_ID: IOH-006430