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N-[1-(1-adamantyl)ethyl]-5-[4-(3-methylbenzoyl)-1-piperazinyl]-2-nitroaniline
SpectraBase Compound ID 75bJ9QlFTJP
InChI InChI=1S/C30H38N4O3/c1-20-4-3-5-25(12-20)29(35)33-10-8-32(9-11-33)26-6-7-28(34(36)37)27(16-26)31-21(2)30-17-22-13-23(18-30)15-24(14-22)19-30/h3-7,12,16,21-24,31H,8-11,13-15,17-19H2,1-2H3/t21?,22-,23+,24-,30-
InChIKey NZHOLOUWOHZTAR-IXJMHDDCSA-N
Mol Weight 502.7 g/mol
Molecular Formula C30H38N4O3
Exact Mass 502.294391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GQjqWIAa3lh
Name N-[1-(1-adamantyl)ethyl]-5-[4-(3-methylbenzoyl)-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/C30H38N4O3/c1-20-4-3-5-25(12-20)29(35)33-10-8-32(9-11-33)26-6-7-28(34(36)37)27(16-26)31-21(2)30-17-22-13-23(18-30)15-24(14-22)19-30/h3-7,12,16,21-24,31H,8-11,13-15,17-19H2,1-2H3/t21?,22-,23+,24-,30-
InChIKey NZHOLOUWOHZTAR-IXJMHDDCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6256
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/11242646; Labnumber: LP-2501899; IOH_ID: IOH-006257
Synonyms N-[1-(1-adamantyl)ethyl]-N-{5-[4-(3-methylbenzoyl)-1-piperazinyl]-2-nitrophenyl}amine