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Isoquinoline, 1,2-dihydro-7-benzyloxy-6-methoxy-2-phenyl-1-(3,5-dibenzyloxybenylidene)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Isoquinoline, 1,2-dihydro-7-benzyloxy-6-methoxy-2-phenyl-1-(3,5-dibenzyloxybenylidene)-
SpectraBase Compound ID AHAszDATgd1
InChI InChI=1S/C44H37NO4/c1-46-43-27-37-22-23-45(38-20-12-5-13-21-38)42(41(37)29-44(43)49-32-35-18-10-4-11-19-35)26-36-24-39(47-30-33-14-6-2-7-15-33)28-40(25-36)48-31-34-16-8-3-9-17-34/h2-29H,30-32H2,1H3/b42-26+
InChIKey FXEWBWDWMHPFBF-OOWNWPBNSA-N
Mol Weight 643.8 g/mol
Molecular Formula C44H37NO4
Exact Mass 643.272259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GcOjGhM0A01
Name Isoquinoline, 1,2-dihydro-7-benzyloxy-6-methoxy-2-phenyl-1-(3,5-dibenzyloxybenylidene)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 643.272258671 u
Formula C44H37NO4
InChI InChI=1S/C44H37NO4/c1-46-43-27-37-22-23-45(38-20-12-5-13-21-38)42(41(37)29-44(43)49-32-35-18-10-4-11-19-35)26-36-24-39(47-30-33-14-6-2-7-15-33)28-40(25-36)48-31-34-16-8-3-9-17-34/h2-29H,30-32H2,1H3/b42-26+
InChIKey FXEWBWDWMHPFBF-OOWNWPBNSA-N
Molecular Weight 643.783 g/mol
SMILES C1(=C(C=C2C(=C1)\C(N(C1=CC=CC=C1)C=C2)=C/C1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OC)OCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875511