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2-(4-Benzyl-1-piperazinyl)-3-chloronaphthoquinone

View entire compound with spectra: 2 NMR

2-(4-Benzyl-1-piperazinyl)-3-chloronaphthoquinone
SpectraBase Compound ID Hbthes5YCH2
InChI InChI=1S/C21H19ClN2O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey GDIYAJQFJXLQFN-UHFFFAOYSA-N
Mol Weight 366.85 g/mol
Molecular Formula C21H19ClN2O2
Exact Mass 366.113506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UQpoCc0c8P
Name 2-(4-Benzyl-1-piperazinyl)-3-chloronaphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.113505558 u
Formula C21H19ClN2O2
InChI InChI=1S/C21H19ClN2O2/c22-18-19(21(26)17-9-5-4-8-16(17)20(18)25)24-12-10-23(11-13-24)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey GDIYAJQFJXLQFN-UHFFFAOYSA-N
Molecular Weight 366.848 g/mol
SMILES C1(=C(C(=O)C=2C(C1=O)=CC=CC2)Cl)N1CCN(CC1)CC=1C=CC=CC1