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N-[1-(1-adamantyl)ethyl]-5-[4-(3,5-dichloro-4-methoxybenzoyl)-1-piperazinyl]-2-nitroaniline
SpectraBase Compound ID 8CVKEzRgCwU
InChI InChI=1S/C30H36Cl2N4O4/c1-18(30-15-19-9-20(16-30)11-21(10-19)17-30)33-26-14-23(3-4-27(26)36(38)39)34-5-7-35(8-6-34)29(37)22-12-24(31)28(40-2)25(32)13-22/h3-4,12-14,18-21,33H,5-11,15-17H2,1-2H3/t18?,19-,20+,21-,30-
InChIKey PURVSTMLJFXKRX-AOUPDBOCSA-N
Mol Weight 587.5 g/mol
Molecular Formula C30H36Cl2N4O4
Exact Mass 586.211361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4s5JYI0jS3
Name N-[1-(1-adamantyl)ethyl]-5-[4-(3,5-dichloro-4-methoxybenzoyl)-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/C30H36Cl2N4O4/c1-18(30-15-19-9-20(16-30)11-21(10-19)17-30)33-26-14-23(3-4-27(26)36(38)39)34-5-7-35(8-6-34)29(37)22-12-24(31)28(40-2)25(32)13-22/h3-4,12-14,18-21,33H,5-11,15-17H2,1-2H3/t18?,19-,20+,21-,30-
InChIKey PURVSTMLJFXKRX-AOUPDBOCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2137
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/9311079; Labnumber: LP-0001055