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N,N-Dimethyl-N'-[4-[2-naphthalenyl]-6-[trichloromethyl]-2-pyrimidinyl]-1,3-propanediamine

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N,N-Dimethyl-N'-[4-[2-naphthalenyl]-6-[trichloromethyl]-2-pyrimidinyl]-1,3-propanediamine
SpectraBase Compound ID GqlJEGwJq25
InChI InChI=1S/C20H21Cl3N4/c1-27(2)11-5-10-24-19-25-17(13-18(26-19)20(21,22)23)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,25,26)
InChIKey RVQLUBMTVBQQJF-UHFFFAOYSA-N
Mol Weight 423.78 g/mol
Molecular Formula C20H21Cl3N4
Exact Mass 422.08318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2P6HpgsA1sY
Name N,N-Dimethyl-N'-[4-[2-naphthalenyl]-6-[trichloromethyl]-2-pyrimidinyl]-1,3-propanediamine
Comments Computed using HOSE algorithm
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Exact Mass 422.083179792 u
Formula C20H21Cl3N4
InChI InChI=1S/C20H21Cl3N4/c1-27(2)11-5-10-24-19-25-17(13-18(26-19)20(21,22)23)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,24,25,26)
InChIKey RVQLUBMTVBQQJF-UHFFFAOYSA-N
Molecular Weight 423.775 g/mol
SMILES C1(=NC(=NC(=C1)C(Cl)(Cl)Cl)NCCCN(C)C)C=1C=C2C(=CC1)C=CC=C2