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3,4-Dihydroisoquinoline, 1-[3-methoxybenzyl]-6-methoxy-
SpectraBase Compound ID KFZFgFLcLZW
InChI InChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3
InChIKey AYGHDKZSMWSCRL-UHFFFAOYSA-N
Mol Weight 281.36 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CWK1FNq8YR7
Name 3,4-Dihydroisoquinoline, 1-[3-methoxybenzyl]-6-methoxy-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-20-15-5-3-4-13(10-15)11-18-17-7-6-16(21-2)12-14(17)8-9-19-18/h3-7,10,12H,8-9,11H2,1-2H3
InChIKey AYGHDKZSMWSCRL-UHFFFAOYSA-N
SMILES C1(=CC(=CC=C1)CC=1C2=C(CCN1)C=C(C=C2)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943451