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N-{4-[acetyl(methyl)amino]phenyl}-3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID JgE66pbGFpN
InChI InChI=1S/C22H26BrN5O2/c1-14(29)27(2)18-5-3-17(4-6-18)25-19(30)21-8-15-7-16(9-21)11-22(10-15,12-21)28-13-24-20(23)26-28/h3-6,13,15-16H,7-12H2,1-2H3,(H,25,30)/t15-,16+,21+,22-
InChIKey GTRIVNYLIHAWIK-WGKKAQPQSA-N
Mol Weight 472.39 g/mol
Molecular Formula C22H26BrN5O2
Exact Mass 471.126988 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ayNRDL2tgn
Name N-{4-[acetyl(methyl)amino]phenyl}-3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C22H26BrN5O2/c1-14(29)27(2)18-5-3-17(4-6-18)25-19(30)21-8-15-7-16(9-21)11-22(10-15,12-21)28-13-24-20(23)26-28/h3-6,13,15-16H,7-12H2,1-2H3,(H,25,30)/t15-,16+,21+,22-
InChIKey GTRIVNYLIHAWIK-WGKKAQPQSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20193
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/9159483; UBI_ID: UBI-020197
Temperature 308 °C