| SpectraBase Spectrum ID |
82EbmwYd9FO |
| Name |
1,8-Dimethyl-5-nitro-2-oxo-1,2-dihydroquinoline-4-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.064391159 u |
| Formula |
C12H9N3O3 |
| InChI |
InChI=1S/C12H9N3O3/c1-7-3-4-9(15(17)18)11-8(6-13)5-10(16)14(2)12(7)11/h3-5H,1-2H3 |
| InChIKey |
XZQXPABLCVPBCT-UHFFFAOYSA-N |
| Molecular Weight |
243.222 g/mol |
| SMILES |
C=12C(=CC(N(C2=C(C)C=CC1N(=O)=O)C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931486 |
