| SpectraBase Spectrum ID |
9zkk4j419fF |
| Name |
1-(3,4-Difluoro-phenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydro-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.138385180 u |
| Formula |
C18H19F2NO2 |
| InChI |
InChI=1S/C18H19F2NO2/c1-3-23-17-9-11-6-7-21-18(13(11)10-16(17)22-2)12-4-5-14(19)15(20)8-12/h4-5,8-10,18,21H,3,6-7H2,1-2H3 |
| InChIKey |
UDCZEDUWHLWAPI-UHFFFAOYSA-N |
| Molecular Weight |
319.352 g/mol |
| SMILES |
C1=2C(C3=CC(F)=C(C=C3)F)NCCC1=CC(=C(C2)OC)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898799 |
