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1-[2-(N,N-Dimethylanilin-4-yl)ethoxy]-8-(1-pyrenylmethoxy)octane
SpectraBase Compound ID 8Wdvq7ZnatX
InChI InChI=1S/C35H41NO2/c1-36(2)32-19-12-27(13-20-32)22-25-37-23-7-5-3-4-6-8-24-38-26-31-17-16-30-15-14-28-10-9-11-29-18-21-33(31)35(30)34(28)29/h9-21H,3-8,22-26H2,1-2H3
InChIKey UXUXOQWHDGPCLG-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C35H41NO2
Exact Mass 507.31373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APl6AXfIBqc
Name 1-[2-(N,N-Dimethylanilin-4-yl)ethoxy]-8-(1-pyrenylmethoxy)octane
Comments Computed using HOSE algorithm
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Exact Mass 507.313729562 u
Formula C35H41NO2
InChI InChI=1S/C35H41NO2/c1-36(2)32-19-12-27(13-20-32)22-25-37-23-7-5-3-4-6-8-24-38-26-31-17-16-30-15-14-28-10-9-11-29-18-21-33(31)35(30)34(28)29/h9-21H,3-8,22-26H2,1-2H3
InChIKey UXUXOQWHDGPCLG-UHFFFAOYSA-N
Molecular Weight 507.718 g/mol
SMILES C1=2C=3C=CC=4C2C(C=CC4)=CC=C1C=CC3COCCCCCCCCOCCC1=CC=C(C=C1)N(C)C