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 |