| SpectraBase Spectrum ID |
1zWTjMLX1GC |
| Name |
6,8-Dichloro-4-oxo-4H-1-benzopyran-2-carboxylic acid, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.995614198 u |
| Formula |
C13H10Cl2O4 |
| InChI |
InChI=1S/C13H10Cl2O4/c1-2-3-18-13(17)11-6-10(16)8-4-7(14)5-9(15)12(8)19-11/h4-6H,2-3H2,1H3 |
| InChIKey |
HUJNTFTZIUPKQU-UHFFFAOYSA-N |
| Molecular Weight |
301.125 g/mol |
| SMILES |
C=12C=C(C=C(C1OC(=CC2=O)C(OCCC)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.802218 |
