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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-butylphenyl)-1-adamantanecarboxamide
SpectraBase Compound ID Ee74VAAbAFq
InChI InChI=1S/C23H29BrN4O/c1-2-3-6-18-7-4-5-8-19(18)26-20(29)22-10-16-9-17(11-22)13-23(12-16,14-22)28-15-25-21(24)27-28/h4-5,7-8,15-17H,2-3,6,9-14H2,1H3,(H,26,29)/t16-,17+,22+,23-
InChIKey KCNCZYWGUPJFNL-HLYHAVAHSA-N
Mol Weight 457.42 g/mol
Molecular Formula C23H29BrN4O
Exact Mass 456.152475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3WGjozsvNuL
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-butylphenyl)-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/C23H29BrN4O/c1-2-3-6-18-7-4-5-8-19(18)26-20(29)22-10-16-9-17(11-22)13-23(12-16,14-22)28-15-25-21(24)27-28/h4-5,7-8,15-17H,2-3,6,9-14H2,1H3,(H,26,29)/t16-,17+,22+,23-
InChIKey KCNCZYWGUPJFNL-HLYHAVAHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3336
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/9178216; Labnumber: BAC_UAMK/007814; UZI_ID: UZI-003338
Temperature 308 °C