| SpectraBase Spectrum ID |
Kda6uOeSCLv |
| Name |
1-Formyl-5,6-dimethoxy-8-phenyl-2,3,9,9A-tetrahydro-1H-benzo[D,E]quinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.152143537 u |
| Formula |
C21H21NO3 |
| InChI |
InChI=1S/C21H21NO3/c1-24-19-12-15-8-9-22(13-23)18-11-16(14-6-4-3-5-7-14)10-17(20(15)18)21(19)25-2/h3-7,10,12-13,18H,8-9,11H2,1-2H3 |
| InChIKey |
VSKQSCBXRWCCHH-UHFFFAOYSA-N |
| Molecular Weight |
335.403 g/mol |
| SMILES |
C12=C3C(N(C=O)CCC3=CC(=C1OC)OC)CC(=C2)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915778 |
![1-formyl-5,6-Dimethoxy-8-phenyl-2,3,9,9a-tetrahydro-1H-benzo[d,e]quinoline](/api/spectrum/Kda6uOeSCLv/structure.png?h=300&w=458 "1-formyl-5,6-Dimethoxy-8-phenyl-2,3,9,9a-tetrahydro-1H-benzo[d,e]quinoline")
