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N-[1-(1-adamantyl)ethyl]-5-[4-(4-ethoxybenzoyl)-1-piperazinyl]-2-nitroaniline
SpectraBase Compound ID HUUutHp7Wfz
InChI InChI=1S/C31H40N4O4/c1-3-39-27-7-4-25(5-8-27)30(36)34-12-10-33(11-13-34)26-6-9-29(35(37)38)28(17-26)32-21(2)31-18-22-14-23(19-31)16-24(15-22)20-31/h4-9,17,21-24,32H,3,10-16,18-20H2,1-2H3
InChIKey FDZUMADPECTZDJ-UHFFFAOYSA-N
Mol Weight 532.7 g/mol
Molecular Formula C31H40N4O4
Exact Mass 532.304956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Iep9k8z17yN
Name N-[1-(1-adamantyl)ethyl]-5-[4-(4-ethoxybenzoyl)-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/C31H40N4O4/c1-3-39-27-7-4-25(5-8-27)30(36)34-12-10-33(11-13-34)26-6-9-29(35(37)38)28(17-26)32-21(2)31-18-22-14-23(19-31)16-24(15-22)20-31/h4-9,17,21-24,32H,3,10-16,18-20H2,1-2H3
InChIKey FDZUMADPECTZDJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5893
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/11241355; Labnumber: LP-2501804; IOH_ID: IOH-005894
Synonyms N-[1-(1-adamantyl)ethyl]-N-{5-[4-(4-ethoxybenzoyl)-1-piperazinyl]-2-nitrophenyl}amine