| SpectraBase Spectrum ID |
B6DzHGz3R8d |
| Name |
5,6-Dihydro-3,6-dioxo-5-methyl-3H-pyrano[2,3-C]isoquinoline-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.053492123 u |
| Formula |
C14H8N2O3 |
| InChI |
InChI=1S/C14H8N2O3/c1-16-12(17)10-5-3-2-4-9(10)11-6-8(7-15)14(18)19-13(11)16/h2-6H,1H3 |
| InChIKey |
RJXSFGRRNLEHGD-UHFFFAOYSA-N |
| Molecular Weight |
252.229 g/mol |
| SMILES |
C1=2C=CC=CC2C(N(C=2OC(C(=CC12)C#N)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.706481 |
![5,6-dihydro-3,6-dioxo-5-methyl-3H-pyrano[2,3-c]isoquinoline-2-carbonitrile](/api/spectrum/B6DzHGz3R8d/structure.png?h=300&w=458 "5,6-dihydro-3,6-dioxo-5-methyl-3H-pyrano[2,3-c]isoquinoline-2-carbonitrile")
