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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(dimethylamino)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID 8dImTJqgzlr
InChI InChI=1S/C21H26ClN5O/c1-26(2)17-5-3-16(4-6-17)24-18(28)20-8-14-7-15(9-20)11-21(10-14,12-20)27-13-23-19(22)25-27/h3-6,13-15H,7-12H2,1-2H3,(H,24,28)
InChIKey FAVBIHWNOYLCDG-UHFFFAOYSA-N
Mol Weight 399.93 g/mol
Molecular Formula C21H26ClN5O
Exact Mass 399.182588 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5AztUaCZPNj
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(dimethylamino)phenyl]-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/C21H26ClN5O/c1-26(2)17-5-3-16(4-6-17)24-18(28)20-8-14-7-15(9-20)11-21(10-14,12-20)27-13-23-19(22)25-27/h3-6,13-15H,7-12H2,1-2H3,(H,24,28)
InChIKey FAVBIHWNOYLCDG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20077
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/9157517; UBI_ID: UBI-020081
Temperature 308 °C