| SpectraBase Spectrum ID |
1xt7ZVNsw3D |
| Name |
3-Chloro-7-ethyl-5,8-dihydroxy-2,6-dimethoxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.040065833 u |
| Formula |
C14H13ClO6 |
| InChI |
InChI=1S/C14H13ClO6/c1-4-5-9(16)6-7(11(18)13(5)20-2)10(17)8(15)14(21-3)12(6)19/h16,18H,4H2,1-3H3 |
| InChIKey |
DKEWQHBQSSHPMJ-UHFFFAOYSA-N |
| Molecular Weight |
312.705 g/mol |
| SMILES |
C1(=O)C(OC)=C(Cl)C(=O)C2=C(O)C(OC)=C(CC)C(O)=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942851 |
