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 Google Search
Mol Weight	403.48 g/mol
Molecular Formula	C25H25NO4
Exact Mass	403.178358 g/mol

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SpectraBase Spectrum ID	H3XiT8G62zX
Name	Isoquinoline, 1-[3-BENZYLOXY5-hydroxybenzyl]-N-formyl-1,2,3,4-
Comments	Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR)	0.852279