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1-(6,7-Dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-diphenyl-ethanone
SpectraBase Compound ID L3XPuc9nCFp
InChI InChI=1S/C26H27NO3/c1-18-22-17-24(30-3)23(29-2)16-21(22)14-15-27(18)26(28)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,25H,14-15H2,1-3H3/t18-/m0/s1
InChIKey OKDLGQDNHVREDD-SFHVURJKSA-N
Mol Weight 401.51 g/mol
Molecular Formula C26H27NO3
Exact Mass 401.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KabS6LjOtO
Name 1-(6,7-Dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-diphenyl-ethanone
Comments Computed using HOSE algorithm
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Exact Mass 401.199093730 u
Formula C26H27NO3
InChI InChI=1S/C26H27NO3/c1-18-22-17-24(30-3)23(29-2)16-21(22)14-15-27(18)26(28)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16-18,25H,14-15H2,1-3H3/t18-/m0/s1
InChIKey OKDLGQDNHVREDD-SFHVURJKSA-N
Molecular Weight 401.506 g/mol
SMILES C=1C=CC(C(C(N2[C@](C=3C=C(OC)C(=CC3CC2)OC)(C)[H])=O)C=2C=CC=CC2)=CC1