| SpectraBase Spectrum ID |
DAiwDgy1gRN |
| Name |
3-Dimethylamino-1-(2-fluorophenyl)-1,4-dihydroisoquinoline hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.137576718 u |
| Formula |
C17H17FN2 |
| InChI |
InChI=1S/C17H17FN2/c1-20(2)16-11-12-7-3-4-8-13(12)17(19-16)14-9-5-6-10-15(14)18/h3-10,17H,11H2,1-2H3 |
| InChIKey |
CRXJXQDPESGACJ-UHFFFAOYSA-N |
| Molecular Weight |
268.335 g/mol |
| SMILES |
C1(N=C(CC2=CC=CC=C12)N(C)C)C1=C(F)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895712 |
