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6-(Benzyloxy)-1,2,3,4-tetrahydro-1-(p-hydroxyphenethyl)-7-methoxy-2-methyl-isoquinoline

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6-(Benzyloxy)-1,2,3,4-tetrahydro-1-(p-hydroxyphenethyl)-7-methoxy-2-methyl-isoquinoline
SpectraBase Compound ID JgCeKeVb5E8
InChI InChI=1S/C26H29NO3/c1-27-15-14-21-16-26(30-18-20-6-4-3-5-7-20)25(29-2)17-23(21)24(27)13-10-19-8-11-22(28)12-9-19/h3-9,11-12,16-17,24,28H,10,13-15,18H2,1-2H3
InChIKey GGEMVLKONGQACJ-UHFFFAOYSA-N
Mol Weight 403.52 g/mol
Molecular Formula C26H29NO3
Exact Mass 403.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTvmmvQBdKJ
Name 6-(Benzyloxy)-1,2,3,4-tetrahydro-1-(p-hydroxyphenethyl)-7-methoxy-2-methyl-isoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.214743795 u
Formula C26H29NO3
InChI InChI=1S/C26H29NO3/c1-27-15-14-21-16-26(30-18-20-6-4-3-5-7-20)25(29-2)17-23(21)24(27)13-10-19-8-11-22(28)12-9-19/h3-9,11-12,16-17,24,28H,10,13-15,18H2,1-2H3
InChIKey GGEMVLKONGQACJ-UHFFFAOYSA-N
Molecular Weight 403.522 g/mol
SMILES C1(N(CCC=2C=C(C(=CC12)OC)OCC=1C=CC=CC1)C)CCC=1C=CC(=CC1)O