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2-[4-(2-Cyanoethyl)piperazino]-3-phenylaminonaphthoquinone

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

2-[4-(2-Cyanoethyl)piperazino]-3-phenylaminonaphthoquinone
SpectraBase Compound ID 2237lyBJnKI
InChI InChI=1S/C23H22N4O2/c24-11-6-12-26-13-15-27(16-14-26)21-20(25-17-7-2-1-3-8-17)22(28)18-9-4-5-10-19(18)23(21)29/h1-5,7-10,25H,6,12-16H2
InChIKey VPEPQYVETMEHKC-UHFFFAOYSA-N
Mol Weight 386.46 g/mol
Molecular Formula C23H22N4O2
Exact Mass 386.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0JIdShDuJc
Name 2-[4-(2-Cyanoethyl)piperazino]-3-phenylaminonaphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.174275962 u
Formula C23H22N4O2
InChI InChI=1S/C23H22N4O2/c24-11-6-12-26-13-15-27(16-14-26)21-20(25-17-7-2-1-3-8-17)22(28)18-9-4-5-10-19(18)23(21)29/h1-5,7-10,25H,6,12-16H2
InChIKey VPEPQYVETMEHKC-UHFFFAOYSA-N
Molecular Weight 386.455 g/mol
SMILES C12=C(C(C(=C(C2=O)NC2=CC=CC=C2)N2CCN(CC2)CCC#N)=O)C=CC=C1