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Isoquinoline, 1-benzyl-7,3',4'-tribenzyloxy-3,4-dihydro-6-methoxy-

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Isoquinoline, 1-benzyl-7,3',4'-tribenzyloxy-3,4-dihydro-6-methoxy-
SpectraBase Compound ID GuNs4TX4pZb
InChI InChI=1S/C38H35NO4/c1-40-36-23-32-19-20-39-34(33(32)24-38(36)43-27-30-15-9-4-10-16-30)21-31-17-18-35(41-25-28-11-5-2-6-12-28)37(22-31)42-26-29-13-7-3-8-14-29/h2-18,22-24H,19-21,25-27H2,1H3
InChIKey ZPKCIZJNUVWJET-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C38H35NO4
Exact Mass 569.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 81zz64nw4rT
Name Isoquinoline, 1-benzyl-7,3',4'-tribenzyloxy-3,4-dihydro-6-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.256608607 u
Formula C38H35NO4
InChI InChI=1S/C38H35NO4/c1-40-36-23-32-19-20-39-34(33(32)24-38(36)43-27-30-15-9-4-10-16-30)21-31-17-18-35(41-25-28-11-5-2-6-12-28)37(22-31)42-26-29-13-7-3-8-14-29/h2-18,22-24H,19-21,25-27H2,1H3
InChIKey ZPKCIZJNUVWJET-UHFFFAOYSA-N
Molecular Weight 569.701 g/mol
SMILES C12=C(C=C(C(=C2)OCC2=CC=CC=C2)OC)CCN=C1CC1=CC(=C(C=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1