| SpectraBase Spectrum ID |
FlKb6xUadpM |
| Name |
5-Acetoxy-2-chloro-6,7-dimethoxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.024415768 u |
| Formula |
C14H11ClO6 |
| InChI |
InChI=1S/C14H11ClO6/c1-6(16)21-14-11-7(4-10(19-2)13(14)20-3)12(18)8(15)5-9(11)17/h4-5H,1-3H3 |
| InChIKey |
SZXSWLWHADUKMW-UHFFFAOYSA-N |
| Molecular Weight |
310.689 g/mol |
| SMILES |
C1(C(=CC(C=2C(=C(C(=CC12)OC)OC)OC(=O)C)=O)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852699 |
