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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
SpectraBase Compound ID J2CQa1kd0LM
InChI InChI=1S/C30H34N4O2S/c1-22(2)33(24-12-8-6-9-13-24)28(35)21-37-29-32-31-27(34(29)25-14-10-7-11-15-25)20-36-26-18-16-23(17-19-26)30(3,4)5/h6-19,22H,20-21H2,1-5H3
InChIKey RMGLXMQUDXOYJP-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 IbM9LadyWUe
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
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/c1-22(2)33(24-12-8-6-9-13-24)28(35)21-37-29-32-31-27(34(29)25-14-10-7-11-15-25)20-36-26-18-16-23(17-19-26)30(3,4)5/h6-19,22H,20-21H2,1-5H3
InChIKey RMGLXMQUDXOYJP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5626
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/11221566; Labnumber: 0508; IOH_ID: IOH-005627