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N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(phenylacetyl)-1-piperazinyl]aniline
SpectraBase Compound ID FMTg9xqiB9z
InChI InChI=1S/C30H38N4O3/c1-21(30-18-23-13-24(19-30)15-25(14-23)20-30)31-27-17-26(7-8-28(27)34(36)37)32-9-11-33(12-10-32)29(35)16-22-5-3-2-4-6-22/h2-8,17,21,23-25,31H,9-16,18-20H2,1H3/t21?,23-,24+,25-,30-
InChIKey AQSIZOBBFWXYCY-WIEADKBPSA-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 HFjYAuKVxW4
Name N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(phenylacetyl)-1-piperazinyl]aniline
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/c1-21(30-18-23-13-24(19-30)15-25(14-23)20-30)31-27-17-26(7-8-28(27)34(36)37)32-9-11-33(12-10-32)29(35)16-22-5-3-2-4-6-22/h2-8,17,21,23-25,31H,9-16,18-20H2,1H3/t21?,23-,24+,25-,30-
InChIKey AQSIZOBBFWXYCY-WIEADKBPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5518
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: D22908; Labnumber: SPKUZ-2193; SBI_ID: SBI-005520
Synonyms N-[1-(1-adamantyl)ethyl]-N-{2-nitro-5-[4-(phenylacetyl)-1-piperazinyl]phenyl}amine
Temperature 318 °C