| SpectraBase Spectrum ID |
8dqaYJzXueL |
| Name |
8,9-Dimethoxy-3A,4,5,6-tetrahydro-1H-benzo[de][1,6]naphthyridin-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.116092380 u |
| Formula |
C13H16N2O3 |
| InChI |
InChI=1S/C13H16N2O3/c1-17-9-5-7-3-4-14-8-6-10(16)15-12(11(7)8)13(9)18-2/h5,8,14H,3-4,6H2,1-2H3,(H,15,16) |
| InChIKey |
KBDFXQVLXPCSQP-UHFFFAOYSA-N |
| Molecular Weight |
248.282 g/mol |
| SMILES |
C12=C3C(NCCC3=CC(=C1OC)OC)CC(N2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900993 |
![8,9-Dimethoxy-3a,4,5,6-tetrahydro-1H-benzo[de][1,6]naphthyridin-2(3H)-one](/api/spectrum/8dqaYJzXueL/structure.png?h=300&w=458 "8,9-Dimethoxy-3a,4,5,6-tetrahydro-1H-benzo[de][1,6]naphthyridin-2(3H)-one")
