| SpectraBase Spectrum ID |
E87GROuhrVZ |
| Name |
Acetic 4-chloro-3-bromo-6-acetoxybenzoic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.924364053 u |
| Formula |
C11H8BrClO5 |
| InChI |
InChI=1S/C11H8BrClO5/c1-5(14)17-10-4-9(13)8(12)3-7(10)11(16)18-6(2)15/h3-4H,1-2H3 |
| InChIKey |
FLPLBFDDGMIQPA-UHFFFAOYSA-N |
| Molecular Weight |
335.537 g/mol |
| SMILES |
C1(Br)=C(C=C(C(=C1)C(=O)OC(C)=O)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960407 |
