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N-(4-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID J491QiwzJdY
InChI InChI=1S/C27H27BrN4O2S/c1-27(2,3)19-7-5-18(6-8-19)25-30-31-26(32(25)22-13-15-23(34-4)16-14-22)35-17-24(33)29-21-11-9-20(28)10-12-21/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey CZRJDHDWDWQWNT-UHFFFAOYSA-N
Mol Weight 551.5 g/mol
Molecular Formula C27H27BrN4O2S
Exact Mass 550.10381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LgUtOQWlBqp
Name N-(4-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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/C27H27BrN4O2S/c1-27(2,3)19-7-5-18(6-8-19)25-30-31-26(32(25)22-13-15-23(34-4)16-14-22)35-17-24(33)29-21-11-9-20(28)10-12-21/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey CZRJDHDWDWQWNT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4878
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: E08299; Labnumber: GRES-36895; SBI_ID: SBI-004880
Temperature 315 °C