| SpectraBase Spectrum ID |
HMhKjZQCzJM |
| Name |
1-(3,4-Difluorophenyl)-6,7-diethoxy-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 |
333.154035244 u |
| Formula |
C19H21F2NO2 |
| InChI |
InChI=1S/C19H21F2NO2/c1-3-23-17-10-12-7-8-22-19(14(12)11-18(17)24-4-2)13-5-6-15(20)16(21)9-13/h5-6,9-11,19,22H,3-4,7-8H2,1-2H3 |
| InChIKey |
BDXKQRAPKDTURW-UHFFFAOYSA-N |
| Molecular Weight |
333.379 g/mol |
| SMILES |
C=12C(C=3C=C(F)C(=CC3)F)NCCC1C=C(OCC)C(=C2)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918361 |
