| SpectraBase Spectrum ID |
4Tyejzrtkbx |
| Name |
1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-diphenyl-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.183443666 u |
| Formula |
C25H25NO3 |
| InChI |
InChI=1S/C25H25NO3/c1-28-22-15-20-13-14-26(17-21(20)16-23(22)29-2)25(27)24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15-16,24H,13-14,17H2,1-2H3 |
| InChIKey |
NVOWLFKGNKNVHH-UHFFFAOYSA-N |
| Molecular Weight |
387.479 g/mol |
| SMILES |
C12=C(C=C(C(=C2)OC)OC)CCN(C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864065 |
