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

View entire compound with spectra: 1 NMR

2-Chloro-3-(4-phenylpiperazino)-1,4-naphthoquinone
SpectraBase Compound ID 7y3LpcjbhlU
InChI InChI=1S/C20H17ClN2O2/c21-17-18(20(25)16-9-5-4-8-15(16)19(17)24)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey VVCXACYNOIORRL-UHFFFAOYSA-N
Mol Weight 352.82 g/mol
Molecular Formula C20H17ClN2O2
Exact Mass 352.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8bWtZgg9MB
Name 2-Chloro-3-(4-phenylpiperazino)-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 352.097855493 u
Formula C20H17ClN2O2
InChI InChI=1S/C20H17ClN2O2/c21-17-18(20(25)16-9-5-4-8-15(16)19(17)24)23-12-10-22(11-13-23)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKey VVCXACYNOIORRL-UHFFFAOYSA-N
Molecular Weight 352.821 g/mol
SMILES C1=CC=C2C(=C1)C(C(=C(C2=O)Cl)N1CCN(C2=CC=CC=C2)CC1)=O