| SpectraBase Spectrum ID |
9fwIE5tPVcW |
| Name |
2,3-Dichloro-5-hydroxy-6-acetoxy-7-methyl-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.974878753 u |
| Formula |
C13H8Cl2O5 |
| InChI |
InChI=1S/C13H8Cl2O5/c1-4-3-6-7(12(19)13(4)20-5(2)16)11(18)9(15)8(14)10(6)17/h3,19H,1-2H3 |
| InChIKey |
SLUIWGIHGZHOMT-UHFFFAOYSA-N |
| Molecular Weight |
315.108 g/mol |
| SMILES |
C1(C(=C(C(C=2C(=C(C(=CC12)C)OC(=O)C)O)=O)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944125 |
