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N-Benzyl-6-benzyloxy-8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 7Cu9vX1wO8T
InChI InChI=1S/C25H27NO2/c1-18-13-22-14-23(28-17-21-11-7-4-8-12-21)15-24(27)25(22)19(2)26(18)16-20-9-5-3-6-10-20/h3-12,14-15,18-19,27H,13,16-17H2,1-2H3
InChIKey KBKZWIYZBDUQNF-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C25H27NO2
Exact Mass 373.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bWIGYdst7m
Name N-Benzyl-6-benzyloxy-8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
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Exact Mass 373.204179111 u
Formula C25H27NO2
InChI InChI=1S/C25H27NO2/c1-18-13-22-14-23(28-17-21-11-7-4-8-12-21)15-24(27)25(22)19(2)26(18)16-20-9-5-3-6-10-20/h3-12,14-15,18-19,27H,13,16-17H2,1-2H3
InChIKey KBKZWIYZBDUQNF-UHFFFAOYSA-N
Molecular Weight 373.496 g/mol
SMILES C1(N(C(CC=2C=C(C=C(C12)O)OCC=1C=CC=CC1)C)CC=1C=CC=CC1)C