| SpectraBase Spectrum ID |
J5uQVDKylZn |
| Name |
6-Methoxy-1-ethyl-4-methyl-2-,5,8(1H)-quinonetrione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.084457899 u |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-4-14-10(16)5-7(2)11-12(14)8(15)6-9(18-3)13(11)17/h5-6H,4H2,1-3H3 |
| InChIKey |
JOVLFOTVSBAOFZ-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C12=C(N(CC)C(C=C2C)=O)C(=O)C=C(C1=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85849 |
