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N-[1-(1-adamantyl)ethyl]-5-[4-(2-bromobenzoyl)-1-piperazinyl]-2-nitroaniline
SpectraBase Compound ID 3JuYt18O86R
InChI InChI=1S/C29H35BrN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-23(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)24-4-2-3-5-25(24)30/h2-7,15,19-22,31H,8-14,16-18H2,1H3/t19?,20-,21+,22-,29-
InChIKey ZQHCNAHTYQMQTP-WQKUKNPYSA-N
Mol Weight 567.5 g/mol
Molecular Formula C29H35BrN4O3
Exact Mass 566.189254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EsxjINXSoAD
Name N-[1-(1-adamantyl)ethyl]-5-[4-(2-bromobenzoyl)-1-piperazinyl]-2-nitroaniline
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/C29H35BrN4O3/c1-19(29-16-20-12-21(17-29)14-22(13-20)18-29)31-26-15-23(6-7-27(26)34(36)37)32-8-10-33(11-9-32)28(35)24-4-2-3-5-25(24)30/h2-7,15,19-22,31H,8-14,16-18H2,1H3/t19?,20-,21+,22-,29-
InChIKey ZQHCNAHTYQMQTP-WQKUKNPYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6228
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: NMR/11242617; Labnumber: LP-2501869; IOH_ID: IOH-006229
Synonyms N-[1-(1-adamantyl)ethyl]-N-{5-[4-(2-bromobenzoyl)-1-piperazinyl]-2-nitrophenyl}amine