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2-Benzyloxy-6-methoxy-8-[8-phthalimido-octylamino]quinoline
SpectraBase Compound ID XL2eLbsnnE
InChI InChI=1S/C33H35N3O4/c1-39-26-21-25-17-18-30(40-23-24-13-7-6-8-14-24)35-31(25)29(22-26)34-19-11-4-2-3-5-12-20-36-32(37)27-15-9-10-16-28(27)33(36)38/h6-10,13-18,21-22,34H,2-5,11-12,19-20,23H2,1H3
InChIKey FHTXPMHDPIJJJV-UHFFFAOYSA-N
Mol Weight 537.7 g/mol
Molecular Formula C33H35N3O4
Exact Mass 537.262757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1b1Tyl4V6yb
Name 2-Benzyloxy-6-methoxy-8-[8-phthalimido-octylamino]quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 537.262756615 u
Formula C33H35N3O4
InChI InChI=1S/C33H35N3O4/c1-39-26-21-25-17-18-30(40-23-24-13-7-6-8-14-24)35-31(25)29(22-26)34-19-11-4-2-3-5-12-20-36-32(37)27-15-9-10-16-28(27)33(36)38/h6-10,13-18,21-22,34H,2-5,11-12,19-20,23H2,1H3
InChIKey FHTXPMHDPIJJJV-UHFFFAOYSA-N
Molecular Weight 537.660 g/mol
SMILES C1=2C(=CC(=CC2NCCCCCCCCN2C(C3=CC=CC=C3C2=O)=O)OC)C=CC(=N1)OCC1=CC=CC=C1