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N-[4-(benzyloxy)phenyl]-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[4-(benzyloxy)phenyl]-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 7bIPbYcCwm6
InChI InChI=1S/C28H22BrN5O2S/c29-22-6-10-24(11-7-22)34-27(21-14-16-30-17-15-21)32-33-28(34)37-19-26(35)31-23-8-12-25(13-9-23)36-18-20-4-2-1-3-5-20/h1-17H,18-19H2,(H,31,35)
InChIKey NRDLESRYQPBSEE-UHFFFAOYSA-N
Mol Weight 572.48 g/mol
Molecular Formula C28H22BrN5O2S
Exact Mass 571.067759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5yk9EV7vHmA
Name N-[4-(benzyloxy)phenyl]-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C28H22BrN5O2S/c29-22-6-10-24(11-7-22)34-27(21-14-16-30-17-15-21)32-33-28(34)37-19-26(35)31-23-8-12-25(13-9-23)36-18-20-4-2-1-3-5-20/h1-17H,18-19H2,(H,31,35)
InChIKey NRDLESRYQPBSEE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5473
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: D25628; Labnumber: GRES-04720; SBI_ID: SBI-005475
Temperature 318 °C