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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,6-dimethylphenyl)-1-adamantanecarboxamide

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,6-dimethylphenyl)-1-adamantanecarboxamide
SpectraBase Compound ID 4xpqossffKa
InChI InChI=1S/C21H25BrN4O/c1-13-4-3-5-14(2)17(13)24-18(27)20-7-15-6-16(8-20)10-21(9-15,11-20)26-12-23-19(22)25-26/h3-5,12,15-16H,6-11H2,1-2H3,(H,24,27)/t15-,16+,20+,21-
InChIKey JZFYPXAMGCNZCZ-IFCLKOLQSA-N
Mol Weight 429.36 g/mol
Molecular Formula C21H25BrN4O
Exact Mass 428.121174 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JXLZ7YvJGz
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,6-dimethylphenyl)-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/C21H25BrN4O/c1-13-4-3-5-14(2)17(13)24-18(27)20-7-15-6-16(8-20)10-21(9-15,11-20)26-12-23-19(22)25-26/h3-5,12,15-16H,6-11H2,1-2H3,(H,24,27)/t15-,16+,20+,21-
InChIKey JZFYPXAMGCNZCZ-IFCLKOLQSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3123
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/9132548; Labnumber: BAC_UAMK/003278; UZI_ID: UZI-003125
Temperature 313 °C