| SpectraBase Spectrum ID |
Ko3NUmRkxm |
| Name |
1-(5-Bromanyl-2-fluoranyl-phenyl)-6,7-dimethoxy-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 |
365.042669952 u |
| Formula |
C17H17BrFNO2 |
| InChI |
InChI=1S/C17H17BrFNO2/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)19/h3-4,7-9,17,20H,5-6H2,1-2H3 |
| InChIKey |
AWNWKFCKJKFYHO-UHFFFAOYSA-N |
| Molecular Weight |
366.230 g/mol |
| SMILES |
C=12C(C=3C(=CC=C(C3)Br)F)NCCC1C=C(OC)C(=C2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925912 |
