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

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)-1-adamantanecarboxamide
SpectraBase Compound ID Joqbm03iFM1
InChI InChI=1S/C21H24BrN5O4/c1-2-31-15-3-4-16(17(6-15)27(29)30)24-18(28)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,2,5,7-11H2,1H3,(H,24,28)/t13-,14+,20+,21-
InChIKey WCNPJMZFAZMTON-HVEVLSQBSA-N
Mol Weight 490.36 g/mol
Molecular Formula C21H24BrN5O4
Exact Mass 489.101167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtGltKUowtj
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-ethoxy-2-nitrophenyl)-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/C21H24BrN5O4/c1-2-31-15-3-4-16(17(6-15)27(29)30)24-18(28)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,2,5,7-11H2,1H3,(H,24,28)/t13-,14+,20+,21-
InChIKey WCNPJMZFAZMTON-HVEVLSQBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19201
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/9137440; UBI_ID: UBI-019204
Temperature 318 °C