| SpectraBase Spectrum ID |
7nT8quxRmwK |
| Name |
1-[(6-Bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.057571124 u |
| Formula |
C19H20BrNO4 |
| InChI |
InChI=1S/C19H20BrNO4/c1-21-6-5-11-3-4-15(23-2)19(22)18(11)14(21)7-12-8-16-17(9-13(12)20)25-10-24-16/h3-4,8-9,14,22H,5-7,10H2,1-2H3 |
| InChIKey |
ZCWVRMVZUVJPFT-UHFFFAOYSA-N |
| Molecular Weight |
406.276 g/mol |
| SMILES |
C1(C=2C(=C(OC)C=CC2CCN1C)O)CC1=C(C=C2C(=C1)OCO2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946261 |
![1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol](/api/spectrum/7nT8quxRmwK/structure.png?h=300&w=458 "1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-8-ol")
