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(S)-1-(5-Hydroxy-2-methoxybenzyl)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 8t8bIuCNaU4
InChI InChI=1S/C18H21NO4/c1-22-17-4-3-13(20)7-12(17)8-15-14-10-16(21)18(23-2)9-11(14)5-6-19-15/h3-4,7,9-10,15,19-21H,5-6,8H2,1-2H3/t15-/m0/s1
InChIKey YXYDFYBPOWUECT-HNNXBMFYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B143n3ppY2j
Name (S)-1-(5-Hydroxy-2-methoxybenzyl)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.147058156 u
Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-22-17-4-3-13(20)7-12(17)8-15-14-10-16(21)18(23-2)9-11(14)5-6-19-15/h3-4,7,9-10,15,19-21H,5-6,8H2,1-2H3/t15-/m0/s1
InChIKey YXYDFYBPOWUECT-HNNXBMFYSA-N
SMILES C=12[C@](CC=3C(=CC=C(C3)O)OC)(NCCC1C=C(OC)C(=C2)O)[H]