| SpectraBase Spectrum ID |
IEpJjPspOK5 |
| Name |
1-((2-Bromophenyl)ethynyl)-2-(4-fluorophenyl)-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 |
405.052840714 u |
| Formula |
C23H17BrFN |
| InChI |
InChI=1S/C23H17BrFN/c24-22-8-4-2-6-18(22)9-14-23-21-7-3-1-5-17(21)15-16-26(23)20-12-10-19(25)11-13-20/h1-8,10-13,23H,15-16H2 |
| InChIKey |
UFNMIGQWHLSUPY-UHFFFAOYSA-N |
| Molecular Weight |
406.298 g/mol |
| SMILES |
C1(N(CCC=2C=CC=CC12)C=1C=CC(=CC1)F)C#CC=1C(=CC=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802297 |
