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1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-phenoxy)-propan-2-ol
SpectraBase Compound ID DBeKAKqtrRN
InChI InChI=1S/C19H23NO3/c1-22-18-7-4-8-19(11-18)23-14-17(21)13-20-10-9-15-5-2-3-6-16(15)12-20/h2-8,11,17,21H,9-10,12-14H2,1H3
InChIKey NYBUYXYXLYTMED-UHFFFAOYSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J470e0Qnr5n
Name 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-(3-methoxy-phenoxy)-propan-2-ol
Comments Computed using HOSE algorithm
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Exact Mass 313.167793602 u
Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-22-18-7-4-8-19(11-18)23-14-17(21)13-20-10-9-15-5-2-3-6-16(15)12-20/h2-8,11,17,21H,9-10,12-14H2,1H3
InChIKey NYBUYXYXLYTMED-UHFFFAOYSA-N
Molecular Weight 313.397 g/mol
SMILES C1=CC2=C(CN(CC(COC3=CC(OC)=CC=C3)O)CC2)C=C1