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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-chlorobenzyl)-1-adamantanecarboxamide
SpectraBase Compound ID 9HTQKayZW6B
InChI InChI=1S/C20H22BrClN4O/c21-18-24-12-26(25-18)20-8-14-5-15(9-20)7-19(6-14,11-20)17(27)23-10-13-1-3-16(22)4-2-13/h1-4,12,14-15H,5-11H2,(H,23,27)/t14-,15+,19+,20-
InChIKey VYBMXEVORJZDRN-FYXYJPLOSA-N
Mol Weight 449.78 g/mol
Molecular Formula C20H22BrClN4O
Exact Mass 448.066552 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJYuqLRbqCU
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-chlorobenzyl)-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/C20H22BrClN4O/c21-18-24-12-26(25-18)20-8-14-5-15(9-20)7-19(6-14,11-20)17(27)23-10-13-1-3-16(22)4-2-13/h1-4,12,14-15H,5-11H2,(H,23,27)/t14-,15+,19+,20-
InChIKey VYBMXEVORJZDRN-FYXYJPLOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19988
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/9155487; UBI_ID: UBI-019992
Temperature 308 °C