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2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID 6p936DjeJZg
InChI InChI=1S/C26H25BrN4O2S/c1-18-7-6-10-23(19(18)2)28-25(32)17-34-26-30-29-24(16-33-22-13-11-21(27)12-14-22)31(26)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3,(H,28,32)
InChIKey SPIXKBYOWFJOBR-UHFFFAOYSA-N
Mol Weight 537.48 g/mol
Molecular Formula C26H25BrN4O2S
Exact Mass 536.08816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G1t61dxkvCQ
Name 2-({4-benzyl-5-[(4-bromophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dimethylphenyl)acetamide
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/C26H25BrN4O2S/c1-18-7-6-10-23(19(18)2)28-25(32)17-34-26-30-29-24(16-33-22-13-11-21(27)12-14-22)31(26)15-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3,(H,28,32)
InChIKey SPIXKBYOWFJOBR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6649
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/11261869; Labnumber: 1445; IOH_ID: IOH-006650