| SpectraBase Spectrum ID |
7V63NjC2rRb |
| Name |
6-Methoxy-1,7-dimethyl-2,5,8(1H)-quinoneone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.068807834 u |
| Formula |
C12H11NO4 |
| InChI |
InChI=1S/C12H11NO4/c1-6-10(15)9-7(11(16)12(6)17-3)4-5-8(14)13(9)2/h4-5H,1-3H3 |
| InChIKey |
QGZGQHBZZPZAPE-UHFFFAOYSA-N |
| Molecular Weight |
233.223 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)C)OC)C=CC(N1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937346 |
