| SpectraBase Spectrum ID |
EDLsRddes47 |
| Name |
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 |
227.111027618 u |
| Formula |
C15H14FN |
| InChI |
InChI=1S/C15H14FN/c16-14-5-7-15(8-6-14)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2 |
| InChIKey |
DHNZSZPXVUCTQG-UHFFFAOYSA-N |
| Molecular Weight |
227.282 g/mol |
| SMILES |
C1N(CCC=2C=CC=CC12)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835656 |
