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Isoquinoline, 3,4-dihydro-6-methoxy-1-[[3,5-dibenzyloxyphenyl]methyl]-

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Isoquinoline, 3,4-dihydro-6-methoxy-1-[[3,5-dibenzyloxyphenyl]methyl]-
SpectraBase Compound ID FcO63CiYTu0
InChI InChI=1S/C31H29NO3/c1-33-27-12-13-30-26(19-27)14-15-32-31(30)18-25-16-28(34-21-23-8-4-2-5-9-23)20-29(17-25)35-22-24-10-6-3-7-11-24/h2-13,16-17,19-20H,14-15,18,21-22H2,1H3
InChIKey SOLICDMSULLHCG-UHFFFAOYSA-N
Mol Weight 463.58 g/mol
Molecular Formula C31H29NO3
Exact Mass 463.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A52mRblp3F
Name Isoquinoline, 3,4-dihydro-6-methoxy-1-[[3,5-dibenzyloxyphenyl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.214743795 u
Formula C31H29NO3
InChI InChI=1S/C31H29NO3/c1-33-27-12-13-30-26(19-27)14-15-32-31(30)18-25-16-28(34-21-23-8-4-2-5-9-23)20-29(17-25)35-22-24-10-6-3-7-11-24/h2-13,16-17,19-20H,14-15,18,21-22H2,1H3
InChIKey SOLICDMSULLHCG-UHFFFAOYSA-N
Molecular Weight 463.577 g/mol
SMILES C1=C(C=C2C(=C1)C(=NCC2)CC1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC=1C=CC=CC1)OC