| SpectraBase Spectrum ID |
FZUri0lp0sC |
| Name |
Isoquinoline, 1,2,3,4-tetrahydro-1-(4-bromophenyl)-6,7-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.052091822 u |
| Formula |
C17H18BrNO2 |
| InChI |
InChI=1S/C17H18BrNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3 |
| InChIKey |
AFGIYTBFSNPSMM-UHFFFAOYSA-N |
| Molecular Weight |
348.240 g/mol |
| SMILES |
C12=CC(=C(C=C2CCNC1C=1C=CC(=CC1)Br)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943985 |
