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5-({5-[(5-Ethynyl-1-naphthyl)ethynyl]-1-naphthyl}ethynyl)-N,N-dimethylnaphthalen-1-amine
SpectraBase Compound ID 1O0hcGe2HqE
InChI InChI=1S/C38H25N/c1-4-27-11-5-17-33-28(12-6-16-32(27)33)23-24-29-13-7-19-35-30(14-8-18-34(29)35)25-26-31-15-9-21-37-36(31)20-10-22-38(37)39(2)3/h1,5-22H,2-3H3
InChIKey KTRWCKCWBSISFH-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C38H25N
Exact Mass 495.1987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCBGuMRtd86
Name 5-({5-[(5-Ethynyl-1-naphthyl)ethynyl]-1-naphthyl}ethynyl)-N,N-dimethylnaphthalen-1-amine
Comments Computed using HOSE algorithm
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Exact Mass 495.198699809 u
Formula C38H25N
InChI InChI=1S/C38H25N/c1-4-27-11-5-17-33-28(12-6-16-32(27)33)23-24-29-13-7-19-35-30(14-8-18-34(29)35)25-26-31-15-9-21-37-36(31)20-10-22-38(37)39(2)3/h1,5-22H,2-3H3
InChIKey KTRWCKCWBSISFH-UHFFFAOYSA-N
Molecular Weight 495.625 g/mol
SMILES C(#CC=1C2=C(C(C#CC=3C4=C(C(C#C)=CC=C4)C=CC3)=CC=C2)C=CC1)C=1C2=C(C(N(C)C)=CC=C2)C=CC1