| SpectraBase Spectrum ID |
AgKJwqTzmRV |
| Name |
2-(4-Fluorophenyl)-1-((4-(trifluoromethyl)phenyl)ethynyl)-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 |
395.129712203 u |
| Formula |
C24H17F4N |
| InChI |
InChI=1S/C24H17F4N/c25-20-10-12-21(13-11-20)29-16-15-18-3-1-2-4-22(18)23(29)14-7-17-5-8-19(9-6-17)24(26,27)28/h1-6,8-13,23H,15-16H2 |
| InChIKey |
AVNLIBBGIDDRPT-UHFFFAOYSA-N |
| Molecular Weight |
395.401 g/mol |
| SMILES |
C1(N(CCC=2C=CC=CC12)C=1C=CC(=CC1)F)C#CC=1C=CC(=CC1)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874236 |
