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N,N'-bis{[3-(9'-Ethyl-3-carbazolyl)amino]butyl}benzene-1,3-dimethanamine
SpectraBase Compound ID L6a19E2fJsJ
InChI InChI=1S/C44H52N6/c1-5-49-41-16-9-7-14-37(41)39-27-35(18-20-43(39)49)47-31(3)22-24-45-29-33-12-11-13-34(26-33)30-46-25-23-32(4)48-36-19-21-44-40(28-36)38-15-8-10-17-42(38)50(44)6-2/h7-21,26-28,31-32,45-48H,5-6,22-25,29-30H2,1-4H3
InChIKey QQRAGUUHVJJYIW-UHFFFAOYSA-N
Mol Weight 664.9 g/mol
Molecular Formula C44H52N6
Exact Mass 664.425346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gachoUijY9
Name N,N'-bis{[3-(9'-Ethyl-3-carbazolyl)amino]butyl}benzene-1,3-dimethanamine
Comments Computed using HOSE algorithm
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Exact Mass 664.425345698 u
Formula C44H52N6
InChI InChI=1S/C44H52N6/c1-5-49-41-16-9-7-14-37(41)39-27-35(18-20-43(39)49)47-31(3)22-24-45-29-33-12-11-13-34(26-33)30-46-25-23-32(4)48-36-19-21-44-40(28-36)38-15-8-10-17-42(38)50(44)6-2/h7-21,26-28,31-32,45-48H,5-6,22-25,29-30H2,1-4H3
InChIKey QQRAGUUHVJJYIW-UHFFFAOYSA-N
Molecular Weight 664.942 g/mol
SMILES C1=2N(C3=C(C2C=C(C=C1)NC(CCNCC1=CC(CNCCC(NC2=CC=4C5=C(C=CC=C5)N(C4C=C2)CC)C)=CC=C1)C)C=CC=C3)CC