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3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(4-morpholinylcarbonyl)phenyl]-1-adamantanecarboxamide

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3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(4-morpholinylcarbonyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID 2bGOIOicUzI
InChI InChI=1S/C24H27BrN6O5/c25-21-27-22(31(34)35)28-30(21)24-12-15-9-16(13-24)11-23(10-15,14-24)20(33)26-18-3-1-17(2-4-18)19(32)29-5-7-36-8-6-29/h1-4,15-16H,5-14H2,(H,26,33)
InChIKey YCROODFUEYSMAS-UHFFFAOYSA-N
Mol Weight 559.42 g/mol
Molecular Formula C24H27BrN6O5
Exact Mass 558.122631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GNZBg5M06nf
Name 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(4-morpholinylcarbonyl)phenyl]-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/C24H27BrN6O5/c25-21-27-22(31(34)35)28-30(21)24-12-15-9-16(13-24)11-23(10-15,14-24)20(33)26-18-3-1-17(2-4-18)19(32)29-5-7-36-8-6-29/h1-4,15-16H,5-14H2,(H,26,33)
InChIKey YCROODFUEYSMAS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19901
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/9153031; UBI_ID: UBI-019905
Temperature 308 °C