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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,4-dimethoxyphenyl)-1-adamantanecarboxamide
SpectraBase Compound ID ItBP6kEMywh
InChI InChI=1S/C21H25BrN4O3/c1-28-15-3-4-16(17(6-15)29-2)24-18(27)20-7-13-5-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,27)/t13-,14+,20+,21-
InChIKey RHQXTCPJTIAMAT-HVEVLSQBSA-N
Mol Weight 461.36 g/mol
Molecular Formula C21H25BrN4O3
Exact Mass 460.111004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4RcBMwLdNqJ
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(2,4-dimethoxyphenyl)-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/C21H25BrN4O3/c1-28-15-3-4-16(17(6-15)29-2)24-18(27)20-7-13-5-14(8-20)10-21(9-13,11-20)26-12-23-19(22)25-26/h3-4,6,12-14H,5,7-11H2,1-2H3,(H,24,27)/t13-,14+,20+,21-
InChIKey RHQXTCPJTIAMAT-HVEVLSQBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3227
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/9183522; Labnumber: BAC_UAMK/004898; UZI_ID: UZI-003229
Temperature 308 °C