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4-(4-acetyl-1-piperazinyl)-N-(1-adamantyl)-3-nitrobenzamide

View entire compound with spectra: 1 NMR

4-(4-acetyl-1-piperazinyl)-N-(1-adamantyl)-3-nitrobenzamide
SpectraBase Compound ID 5UYxr9U0Y2X
InChI InChI=1S/C23H30N4O4/c1-15(28)25-4-6-26(7-5-25)20-3-2-19(11-21(20)27(30)31)22(29)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,4-10,12-14H2,1H3,(H,24,29)/t16-,17+,18-,23-
InChIKey MKNPLJCEPKJNRV-BRGRSMLUSA-N
Mol Weight 426.52 g/mol
Molecular Formula C23H30N4O4
Exact Mass 426.226705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6EpLJj5j40k
Name 4-(4-acetyl-1-piperazinyl)-N-(1-adamantyl)-3-nitrobenzamide
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/C23H30N4O4/c1-15(28)25-4-6-26(7-5-25)20-3-2-19(11-21(20)27(30)31)22(29)24-23-12-16-8-17(13-23)10-18(9-16)14-23/h2-3,11,16-18H,4-10,12-14H2,1H3,(H,24,29)/t16-,17+,18-,23-
InChIKey MKNPLJCEPKJNRV-BRGRSMLUSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4989
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: E12696; Labnumber: SPKUZ-2272; SBI_ID: SBI-004991
Temperature 306 °C