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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-iodophenyl)-1-adamantanecarboxamide
SpectraBase Compound ID BGSXg8ZDQdm
InChI InChI=1S/C19H20BrIN4O/c20-17-22-11-25(24-17)19-8-12-5-13(9-19)7-18(6-12,10-19)16(26)23-15-4-2-1-3-14(15)21/h1-4,11-13H,5-10H2,(H,23,26)/t12-,13+,18+,19-
InChIKey IMKXAXXBNNWHGA-FUOYASODSA-N
Mol Weight 527.2 g/mol
Molecular Formula C19H20BrIN4O
Exact Mass 525.986519 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmbH26kZLFM
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2-iodophenyl)-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/C19H20BrIN4O/c20-17-22-11-25(24-17)19-8-12-5-13(9-19)7-18(6-12,10-19)16(26)23-15-4-2-1-3-14(15)21/h1-4,11-13H,5-10H2,(H,23,26)/t12-,13+,18+,19-
InChIKey IMKXAXXBNNWHGA-FUOYASODSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20366
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/9163081; UBI_ID: UBI-020370
Temperature 308 °C