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1-(4-tert-butyl-5-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
SpectraBase Compound ID DtzcPRPRMlC
InChI InChI=1S/C28H29Cl2N3O3/c1-18(34)26-31-33(20-10-7-6-8-11-20)27(32(26)28(2,3)4)19-14-15-24(25(16-19)35-5)36-17-21-22(29)12-9-13-23(21)30/h6-16,27H,17H2,1-5H3
InChIKey AZFSUSXMRAKYFJ-UHFFFAOYSA-N
Mol Weight 526.46 g/mol
Molecular Formula C28H29Cl2N3O3
Exact Mass 525.158597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zTLBMsxkhG
Name 1-(4-tert-butyl-5-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)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/C28H29Cl2N3O3/c1-18(34)26-31-33(20-10-7-6-8-11-20)27(32(26)28(2,3)4)19-14-15-24(25(16-19)35-5)36-17-21-22(29)12-9-13-23(21)30/h6-16,27H,17H2,1-5H3
InChIKey AZFSUSXMRAKYFJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3029
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/9223727; Labnumber: LP-3900118
Temperature 303 °C