| SpectraBase Spectrum ID |
LsqtPnQ3tns |
| Name |
1,4-Naphthalenedione, 3,8-dihydroxy-2,5-dimethoxy-6-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.063388100 u |
| Formula |
C13H12O6 |
| InChI |
InChI=1S/C13H12O6/c1-5-4-6(14)7-8(12(5)18-2)9(15)11(17)13(19-3)10(7)16/h4,14,17H,1-3H3 |
| InChIKey |
GHDGVDSFWGUXAE-UHFFFAOYSA-N |
| Molecular Weight |
264.233 g/mol |
| SMILES |
C12=C(C(=O)C(=C(C2=O)OC)O)C(OC)=C(C=C1O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930752 |
