| SpectraBase Spectrum ID |
Cxhs6A3FLHB |
| Name |
4-Acetoxy-2,5-dichlorophenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.979964134 u |
| Formula |
C10H8Cl2O4 |
| InChI |
InChI=1S/C10H8Cl2O4/c1-5(13)15-9-3-8(12)10(4-7(9)11)16-6(2)14/h3-4H,1-2H3 |
| InChIKey |
QXTVIYNJMRUCPP-UHFFFAOYSA-N |
| Molecular Weight |
263.076 g/mol |
| SMILES |
C1=C(C(OC(=O)C)=CC(=C1OC(=O)C)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954931 |
