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2-Acetylamino-3-(4-phenylpiperazino)-1,4-naphthoquinone

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Acetylamino-3-(4-phenylpiperazino)-1,4-naphthoquinone
SpectraBase Compound ID HKMx8nml53P
InChI InChI=1S/C22H21N3O3/c1-15(26)23-19-20(22(28)18-10-6-5-9-17(18)21(19)27)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,26)
InChIKey RPYNGUIJTJQPFX-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C22H21N3O3
Exact Mass 375.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqVQN5bBenD
Name 2-Acetylamino-3-(4-phenylpiperazino)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.158291545 u
Formula C22H21N3O3
InChI InChI=1S/C22H21N3O3/c1-15(26)23-19-20(22(28)18-10-6-5-9-17(18)21(19)27)25-13-11-24(12-14-25)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,23,26)
InChIKey RPYNGUIJTJQPFX-UHFFFAOYSA-N
Molecular Weight 375.428 g/mol
SMILES C12=C(C(C(=C(C2=O)N2CCN(C3=CC=CC=C3)CC2)NC(C)=O)=O)C=CC=C1