| SpectraBase Spectrum ID |
K9Ym05GlHaC |
| Name |
2-Keto-6-nitro-chromene-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.017106613 u |
| Formula |
C10H4N2O4 |
| InChI |
InChI=1S/C10H4N2O4/c11-5-7-3-6-4-8(12(14)15)1-2-9(6)16-10(7)13/h1-4H |
| InChIKey |
MXTJNGBPCMTVJI-UHFFFAOYSA-N |
| Molecular Weight |
216.152 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(N(=O)=O)C=C2)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966051 |
