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(rac)-1-Methoxy-4-[3-(2-naphthyl)butyl]benzene
SpectraBase Compound ID BDSfyrwBWAH
InChI InChI=1S/C21H22O/c1-16(7-8-17-9-13-21(22-2)14-10-17)19-12-11-18-5-3-4-6-20(18)15-19/h3-6,9-16H,7-8H2,1-2H3
InChIKey NTPVXMINHDYDNQ-UHFFFAOYSA-N
Mol Weight 290.41 g/mol
Molecular Formula C21H22O
Exact Mass 290.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kL0WuVm9bk
Name (rac)-1-Methoxy-4-[3-(2-naphthyl)butyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 290.167065327 u
Formula C21H22O
InChI InChI=1S/C21H22O/c1-16(7-8-17-9-13-21(22-2)14-10-17)19-12-11-18-5-3-4-6-20(18)15-19/h3-6,9-16H,7-8H2,1-2H3
InChIKey NTPVXMINHDYDNQ-UHFFFAOYSA-N
SMILES C=1C=C(CCC(C2=CC=C3C(=C2)C=CC=C3)C)C=CC1OC