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N,N'-bis(2'-Phenylethyl)-N-{[3-(2''-phenylethyl)amino]propyl}propane-1,3-diamine
SpectraBase Compound ID FwoflBTHlex
InChI InChI=1S/C30H41N3/c1-4-12-28(13-5-1)18-23-31-21-10-25-33(27-20-30-16-8-3-9-17-30)26-11-22-32-24-19-29-14-6-2-7-15-29/h1-9,12-17,31-32H,10-11,18-27H2
InChIKey BPGYZAYNINAPRN-UHFFFAOYSA-N
Mol Weight 443.7 g/mol
Molecular Formula C30H41N3
Exact Mass 443.330048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G9S8t49Gps
Name N,N'-bis(2'-Phenylethyl)-N-{[3-(2''-phenylethyl)amino]propyl}propane-1,3-diamine
Comments Computed using HOSE algorithm
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Exact Mass 443.330048332 u
Formula C30H41N3
InChI InChI=1S/C30H41N3/c1-4-12-28(13-5-1)18-23-31-21-10-25-33(27-20-30-16-8-3-9-17-30)26-11-22-32-24-19-29-14-6-2-7-15-29/h1-9,12-17,31-32H,10-11,18-27H2
InChIKey BPGYZAYNINAPRN-UHFFFAOYSA-N
Molecular Weight 443.679 g/mol
SMILES C(N(CCCNCCC=1C=CC=CC1)CCCNCCC=1C=CC=CC1)CC1=CC=CC=C1