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N-(2-bromophenyl)-2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 3GsaL5YrK9F
InChI InChI=1S/C27H27BrN4O2S/c1-27(2,3)19-11-9-18(10-12-19)25-30-31-26(32(25)20-13-15-21(34-4)16-14-20)35-17-24(33)29-23-8-6-5-7-22(23)28/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey MDCMILXKBIQTGA-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 5NVwQW4yyCC
Name N-(2-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)19-11-9-18(10-12-19)25-30-31-26(32(25)20-13-15-21(34-4)16-14-20)35-17-24(33)29-23-8-6-5-7-22(23)28/h5-16H,17H2,1-4H3,(H,29,33)
InChIKey MDCMILXKBIQTGA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17414
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: D25595; Labnumber: GRES-04679; SBI_ID: SBI-017417
Temperature 308 °C