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N-(4-bromo-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide

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N-(4-bromo-2-methylphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID A5wow3v6avL
InChI InChI=1S/C20H23BrN4O/c1-13-4-16(21)2-3-17(13)24-18(26)19-6-14-5-15(7-19)9-20(8-14,10-19)25-12-22-11-23-25/h2-4,11-12,14-15H,5-10H2,1H3,(H,24,26)/t14-,15+,19+,20-
InChIKey XAZGLVGQTNMDLY-FYXYJPLOSA-N
Mol Weight 415.34 g/mol
Molecular Formula C20H23BrN4O
Exact Mass 414.105524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FN7m1D1k2IK
Name N-(4-bromo-2-methylphenyl)-3-(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/C20H23BrN4O/c1-13-4-16(21)2-3-17(13)24-18(26)19-6-14-5-15(7-19)9-20(8-14,10-19)25-12-22-11-23-25/h2-4,11-12,14-15H,5-10H2,1H3,(H,24,26)/t14-,15+,19+,20-
InChIKey XAZGLVGQTNMDLY-FYXYJPLOSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10241
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/9069895; UBI_ID: UBI-010244
Temperature 308 °C