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N-[4-(acetylamino)phenyl]-3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID AKTudIQzwIn
InChI InChI=1S/C21H24BrN5O2/c1-13(28)24-16-2-4-17(5-3-16)25-18(29)20-7-14-6-15(8-20)10-21(9-14,11-20)27-12-23-19(22)26-27/h2-5,12,14-15H,6-11H2,1H3,(H,24,28)(H,25,29)/t14-,15+,20+,21-
InChIKey OHIGHSCMAQWNBZ-ZFJWPNLUSA-N
Mol Weight 458.36 g/mol
Molecular Formula C21H24BrN5O2
Exact Mass 457.111338 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4m65S5tvPAd
Name N-[4-(acetylamino)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/C21H24BrN5O2/c1-13(28)24-16-2-4-17(5-3-16)25-18(29)20-7-14-6-15(8-20)10-21(9-14,11-20)27-12-23-19(22)26-27/h2-5,12,14-15H,6-11H2,1H3,(H,24,28)(H,25,29)/t14-,15+,20+,21-
InChIKey OHIGHSCMAQWNBZ-ZFJWPNLUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19002
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/9133461; UBI_ID: UBI-019005
Temperature 308 °C