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N,N'-Bis-(4-methylbenzyl)-benzene-1,2-diamine
SpectraBase Compound ID IC5oozVdA1O
InChI InChI=1S/C22H24N2/c1-17-7-11-19(12-8-17)15-23-21-5-3-4-6-22(21)24-16-20-13-9-18(2)10-14-20/h3-14,23-24H,15-16H2,1-2H3
InChIKey LTBKGLRTOZWRQY-UHFFFAOYSA-N
Mol Weight 316.45 g/mol
Molecular Formula C22H24N2
Exact Mass 316.193949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZILSzlbx0v
Name N,N'-bis-(4-Methylbenzyl)-benzene-1,2-diamine
Comments Computed using HOSE algorithm
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Exact Mass 316.193948781 u
Formula C22H24N2
InChI InChI=1S/C22H24N2/c1-17-7-11-19(12-8-17)15-23-21-5-3-4-6-22(21)24-16-20-13-9-18(2)10-14-20/h3-14,23-24H,15-16H2,1-2H3
InChIKey LTBKGLRTOZWRQY-UHFFFAOYSA-N
Molecular Weight 316.448 g/mol
SMILES C=1C(NCC2=CC=C(C=C2)C)=C(NCC2=CC=C(C=C2)C)C=CC1