SpectraBase Spectrum ID |
81G6kdeV8H2 |
Name |
1-(6-Bromo-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
391.041921060 u |
Formula |
C18H18BrNO4 |
InChI |
InChI=1S/C18H18BrNO4/c1-21-14-5-10-3-4-20-18(11(10)6-15(14)22-2)12-7-16-17(8-13(12)19)24-9-23-16/h5-8,18,20H,3-4,9H2,1-2H3 |
InChIKey |
HDRTXNLQXSWLOT-UHFFFAOYSA-N |
Molecular Weight |
392.249 g/mol |
SMILES |
C=1(C2C=3C=C(OC)C(=CC3CCN2)OC)C(=CC2=C(C1)OCO2)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909376 |