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methyl 4-[({[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID GUVUKMqf9dS
InChI InChI=1S/C30H32N4O4S/c1-20-6-14-24(15-7-20)34-26(18-38-25-16-10-22(11-17-25)30(2,3)4)32-33-29(34)39-19-27(35)31-23-12-8-21(9-13-23)28(36)37-5/h6-17H,18-19H2,1-5H3,(H,31,35)
InChIKey LWEJYSZOLGOZDU-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C30H32N4O4S
Exact Mass 544.214427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gw5JwnltzPX
Name methyl 4-[({[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C30H32N4O4S/c1-20-6-14-24(15-7-20)34-26(18-38-25-16-10-22(11-17-25)30(2,3)4)32-33-29(34)39-19-27(35)31-23-12-8-21(9-13-23)28(36)37-5/h6-17H,18-19H2,1-5H3,(H,31,35)
InChIKey LWEJYSZOLGOZDU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5433
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/11221561; Labnumber: 0503; IOH_ID: IOH-005434