| SpectraBase Spectrum ID |
F0kc2K5nTcu |
| Name |
6-Methoxy-1,4,7-trimethyl-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 |
247.084457899 u |
| Formula |
C13H13NO4 |
| InChI |
InChI=1S/C13H13NO4/c1-6-5-8(15)14(3)10-9(6)12(17)13(18-4)7(2)11(10)16/h5H,1-4H3 |
| InChIKey |
SFOHJCBHWLLHQG-UHFFFAOYSA-N |
| Molecular Weight |
247.250 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)OC)C)N(C)C(C=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967424 |
