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Isoquinoline, 1-[3-BENZYLOXY5-hydroxybenzyl]-N-formyl-1,2,3,4-

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Isoquinoline, 1-[3-BENZYLOXY5-hydroxybenzyl]-N-formyl-1,2,3,4-
SpectraBase Compound ID 7yAoUzdA9Ay
InChI InChI=1S/C25H25NO4/c1-29-22-7-8-24-20(14-22)9-10-26(17-27)25(24)13-19-11-21(28)15-23(12-19)30-16-18-5-3-2-4-6-18/h2-8,11-12,14-15,17,25,28H,9-10,13,16H2,1H3
InChIKey KMOSAWIHGGKPKZ-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C25H25NO4
Exact Mass 403.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yiZAP4pLz2
Name Isoquinoline, 1-[3-BENZYLOXY5-hydroxybenzyl]-N-formyl-1,2,3,4-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.178358285 u
Formula C25H25NO4
InChI InChI=1S/C25H25NO4/c1-29-22-7-8-24-20(14-22)9-10-26(17-27)25(24)13-19-11-21(28)15-23(12-19)30-16-18-5-3-2-4-6-18/h2-8,11-12,14-15,17,25,28H,9-10,13,16H2,1H3
InChIKey KMOSAWIHGGKPKZ-UHFFFAOYSA-N
Molecular Weight 403.478 g/mol
SMILES C1(=CC(=CC(=C1)O)CC1C2=C(CCN1C=O)C=C(C=C2)OC)OCC1=CC=CC=C1