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2-(4-Phenylpiperazino)-3-(4-tolilamino)-1,4-naphthoquinone

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

2-(4-Phenylpiperazino)-3-(4-tolilamino)-1,4-naphthoquinone
SpectraBase Compound ID DjXsrbFnbmG
InChI InChI=1S/C27H25N3O2/c1-19-11-13-20(14-12-19)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,28H,15-18H2,1H3
InChIKey PEUYUGRMTKXCEU-UHFFFAOYSA-N
Mol Weight 423.52 g/mol
Molecular Formula C27H25N3O2
Exact Mass 423.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dpDWvQtWdZ
Name 2-(4-Phenylpiperazino)-3-(4-tolilamino)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.194677055 u
Formula C27H25N3O2
InChI InChI=1S/C27H25N3O2/c1-19-11-13-20(14-12-19)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-17-15-29(16-18-30)21-7-3-2-4-8-21/h2-14,28H,15-18H2,1H3
InChIKey PEUYUGRMTKXCEU-UHFFFAOYSA-N
Molecular Weight 423.516 g/mol
SMILES C12=C(C(C(=C(C2=O)NC2=CC=C(C=C2)C)N2CCN(CC2)C2=CC=CC=C2)=O)C=CC=C1