1-[Dimethoxy-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline

SpectraBase Compound ID	7CcRmxBQV12
InChI	InChI=1S/C22H27NO6/c1-24-17-8-7-15(12-19(17)26-3)22(28-5,29-6)21-16-13-20(27-4)18(25-2)11-14(16)9-10-23-21/h7-8,11-13H,9-10H2,1-6H3
InChIKey	FMDKABAEYVBTPR-UHFFFAOYSA-N Google Search
Mol Weight	401.46 g/mol
Molecular Formula	C22H27NO6
Exact Mass	401.183838 g/mol

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SpectraBase Spectrum ID	8fGhZxT71Wf
Name	1-[Dimethoxy-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	401.183837587 u
Formula	C22H27NO6
InChI	InChI=1S/C22H27NO6/c1-24-17-8-7-15(12-19(17)26-3)22(28-5,29-6)21-16-13-20(27-4)18(25-2)11-14(16)9-10-23-21/h7-8,11-13H,9-10H2,1-6H3
InChIKey	FMDKABAEYVBTPR-UHFFFAOYSA-N
Molecular Weight	401.459 g/mol
SMILES	C=1(C(C=2C=C(OC)C(=CC2)OC)(OC)OC)C=2C=C(OC)C(=CC2CCN1)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.93635