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2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID IakUOwqEBtp
InChI InChI=1S/C25H24BrN5O2S/c1-17(27-19-14-12-18(26)13-15-19)24-29-30-25(31(24)20-8-4-3-5-9-20)34-16-23(32)28-21-10-6-7-11-22(21)33-2/h3-15,17,27H,16H2,1-2H3,(H,28,32)
InChIKey NNWGJLAWIRNBHN-UHFFFAOYSA-N
Mol Weight 538.46 g/mol
Molecular Formula C25H24BrN5O2S
Exact Mass 537.083409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lf7cykL0r
Name 2-({5-[1-(4-bromoanilino)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)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/C25H24BrN5O2S/c1-17(27-19-14-12-18(26)13-15-19)24-29-30-25(31(24)20-8-4-3-5-9-20)34-16-23(32)28-21-10-6-7-11-22(21)33-2/h3-15,17,27H,16H2,1-2H3,(H,28,32)
InChIKey NNWGJLAWIRNBHN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2922
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: UZI/8072051; UBI_ID: UBI-002923
Temperature 308 °C