| SpectraBase Spectrum ID |
5huyRYXvhGv |
| Name |
(6as,9ar,9bs)-6A-Ethyl-octahydro-pyrrolo[3,2,1-ij]quinoline-4,9-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.141578854 u |
| Formula |
C13H19NO2 |
| InChI |
InChI=1S/C13H19NO2/c1-2-13-6-3-10(15)9-5-8-14(12(9)13)11(16)4-7-13/h9,12H,2-8H2,1H3/t9-,12-,13-/m0/s1 |
| InChIKey |
XYBVOYRQYVRYHB-XDTLVQLUSA-N |
| Molecular Weight |
221.300 g/mol |
| SMILES |
[C@]12(N3C(CC[C@@]1(CCC([C@]2([H])CC3)=O)CC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92792 |
![(6as,9ar,9bs)-6A-Ethyl-octahydro-pyrrolo[3,2,1-ij]quinoline-4,9-dione](/api/spectrum/5huyRYXvhGv/structure.png?h=300&w=458 "(6as,9ar,9bs)-6A-Ethyl-octahydro-pyrrolo[3,2,1-ij]quinoline-4,9-dione")
