| SpectraBase Spectrum ID |
EiQxdmeLrEW |
| Name |
6,7-Dichloro-2,5,8-trihydroxy-3-methyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.959228688 u |
| Formula |
C11H6Cl2O5 |
| InChI |
InChI=1S/C11H6Cl2O5/c1-2-7(14)3-4(11(18)8(2)15)10(17)6(13)5(12)9(3)16/h15-17H,1H3 |
| InChIKey |
LGTPFUFUFYEBOC-UHFFFAOYSA-N |
| SMILES |
C12=C(C(=O)C(=C(C2=O)C)O)C(O)=C(C(=C1O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88027 |
