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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-adamantanecarboxamide
SpectraBase Compound ID HuVcb1iPC6k
InChI InChI=1S/C21H23BrN4O3/c22-19-23-12-26(25-19)21-9-13-5-14(10-21)8-20(7-13,11-21)18(27)24-15-1-2-16-17(6-15)29-4-3-28-16/h1-2,6,12-14H,3-5,7-11H2,(H,24,27)/t13-,14+,20+,21-
InChIKey AFOUBIYQTRFLNZ-HVEVLSQBSA-N
Mol Weight 459.34 g/mol
Molecular Formula C21H23BrN4O3
Exact Mass 458.095354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjrehqFlG1V
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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/C21H23BrN4O3/c22-19-23-12-26(25-19)21-9-13-5-14(10-21)8-20(7-13,11-21)18(27)24-15-1-2-16-17(6-15)29-4-3-28-16/h1-2,6,12-14H,3-5,7-11H2,(H,24,27)/t13-,14+,20+,21-
InChIKey AFOUBIYQTRFLNZ-HVEVLSQBSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18778
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/9128697; UBI_ID: UBI-018781
Temperature 308 °C