N-[1-[3-Hydroxy-4-methoxyphenyl]-2-phenylethyl]-2-aminoacetaldehyde diethylacetal

SpectraBase Compound ID	4BNPmXB5abz
InChI	InChI=1S/C21H29NO4/c1-4-25-21(26-5-2)15-22-18(13-16-9-7-6-8-10-16)17-11-12-20(24-3)19(23)14-17/h6-12,14,18,21-23H,4-5,13,15H2,1-3H3
InChIKey	ISNOKBAZNPWYTI-UHFFFAOYSA-N Google Search
Mol Weight	359.47 g/mol
Molecular Formula	C21H29NO4
Exact Mass	359.209658 g/mol

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SpectraBase Spectrum ID	CrIuAAUlalg
Name	N-[1-[3-Hydroxy-4-methoxyphenyl]-2-phenylethyl]-2-aminoacetaldehyde diethylacetal
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	359.209658414 u
Formula	C21H29NO4
InChI	InChI=1S/C21H29NO4/c1-4-25-21(26-5-2)15-22-18(13-16-9-7-6-8-10-16)17-11-12-20(24-3)19(23)14-17/h6-12,14,18,21-23H,4-5,13,15H2,1-3H3
InChIKey	ISNOKBAZNPWYTI-UHFFFAOYSA-N
Molecular Weight	359.466 g/mol
SMILES	CCOC(CNC(CC1=CC=CC=C1)C1=CC(O)=C(OC)C=C1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.954947