| SpectraBase Spectrum ID |
sPYFvkCYJD |
| Name |
2-Cyano-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-A]isoquinoline-1-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.100442316 u |
| Formula |
C16H14N2O3 |
| InChI |
InChI=1S/C16H14N2O3/c1-20-14-5-10-3-4-18-8-11(7-17)13(9-19)16(18)12(10)6-15(14)21-2/h5-6,8-9H,3-4H2,1-2H3 |
| InChIKey |
RKGPQSRABXLGBP-UHFFFAOYSA-N |
| SMILES |
C=12C=C(C(=CC1CCN1C=C(C(=C21)C=O)C#N)OC)OC |
| Spectrum/Structure Validation Score (Raman) |
0.91013 |
![2-Cyano-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-A]isoquinoline-1-carboxaldehyde](/api/spectrum/sPYFvkCYJD/structure.png?h=300&w=458 "2-Cyano-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-A]isoquinoline-1-carboxaldehyde")
