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Piperazine, 1,4-bis[(2,4-dichlorophenyl)methyl]-
SpectraBase Compound ID 1QXxqoncGOT
InChI InChI=1S/C18H18Cl4N2/c19-15-3-1-13(17(21)9-15)11-23-5-7-24(8-6-23)12-14-2-4-16(20)10-18(14)22/h1-4,9-10H,5-8,11-12H2
InChIKey QUTKLCHBILOMTQ-UHFFFAOYSA-N
Mol Weight 404.2 g/mol
Molecular Formula C18H18Cl4N2
Exact Mass 402.022409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 79k08UY8AqT
Name Piperazine, 1,4-bis[(2,4-dichlorophenyl)methyl]-
Comments Computed using HOSE algorithm
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Exact Mass 402.022409388 u
Formula C18H18Cl4N2
InChI InChI=1S/C18H18Cl4N2/c19-15-3-1-13(17(21)9-15)11-23-5-7-24(8-6-23)12-14-2-4-16(20)10-18(14)22/h1-4,9-10H,5-8,11-12H2
InChIKey QUTKLCHBILOMTQ-UHFFFAOYSA-N
Molecular Weight 404.168 g/mol
SMILES C=1(C(=CC(=CC1)Cl)Cl)CN1CCN(CC1)CC1=C(C=C(C=C1)Cl)Cl