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Isoquinoline, 6,7-dibenzyloxy-1,2,3,4-tetrahydro-1-[[4-benzyloxy-5-methoxyphenyl]methyl]-

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Isoquinoline, 6,7-dibenzyloxy-1,2,3,4-tetrahydro-1-[[4-benzyloxy-5-methoxyphenyl]methyl]-
SpectraBase Compound ID AJgVi6SRgaT
InChI InChI=1S/C38H37NO4/c1-40-33-19-31(20-34(23-33)41-25-28-11-5-2-6-12-28)21-36-35-24-38(43-27-30-15-9-4-10-16-30)37(22-32(35)17-18-39-36)42-26-29-13-7-3-8-14-29/h2-16,19-20,22-24,36,39H,17-18,21,25-27H2,1H3
InChIKey PKUPGVVVTGYLRL-UHFFFAOYSA-N
Mol Weight 571.7 g/mol
Molecular Formula C38H37NO4
Exact Mass 571.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Vuw5C53mv3
Name Isoquinoline, 6,7-dibenzyloxy-1,2,3,4-tetrahydro-1-[[4-benzyloxy-5-methoxyphenyl]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.272258671 u
Formula C38H37NO4
InChI InChI=1S/C38H37NO4/c1-40-33-19-31(20-34(23-33)41-25-28-11-5-2-6-12-28)21-36-35-24-38(43-27-30-15-9-4-10-16-30)37(22-32(35)17-18-39-36)42-26-29-13-7-3-8-14-29/h2-16,19-20,22-24,36,39H,17-18,21,25-27H2,1H3
InChIKey PKUPGVVVTGYLRL-UHFFFAOYSA-N
Molecular Weight 571.717 g/mol
SMILES C1(=C(C=C2C(=C1)C(NCC2)CC1=CC(=CC(=C1)OCC1=CC=CC=C1)OC)OCC1=CC=CC=C1)OCC1=CC=CC=C1