| SpectraBase Spectrum ID |
CM18ePGFAGg |
| Name |
2,3,3A,4,5,6-Hexahydro-1H-benzo[de][1,6]naphthyridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.115698459 u |
| Formula |
C11H14N2 |
| InChI |
InChI=1S/C11H14N2/c1-2-8-4-6-12-10-5-7-13-9(3-1)11(8)10/h1-3,10,12-13H,4-7H2 |
| InChIKey |
IQOHICYYMVAQBT-UHFFFAOYSA-N |
| Molecular Weight |
174.247 g/mol |
| SMILES |
C12=C3NCCC1NCCC2=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971956 |
![2,3,3a,4,5,6-hexahydro-1H-benzo[de][1,6]naphthyridine](/api/spectrum/CM18ePGFAGg/structure.png?h=300&w=458 "2,3,3a,4,5,6-hexahydro-1H-benzo[de][1,6]naphthyridine")
