| SpectraBase Compound ID | 3SLBu48RYg2 |
|---|---|
| InChI | InChI=1S/C11H10O5/c1-7(12)15-10-5-3-4-9(6-10)11(14)16-8(2)13/h3-6H,1-2H3 |
| InChIKey | NBJUJOIKIGAIRE-UHFFFAOYSA-N |
| Mol Weight | 222.2 g/mol |
| Molecular Formula | C11H10O5 |
| Exact Mass | 222.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AXYHeox1w0v |
|---|---|
| Name | 3-(Acetyloxy)benzoic acetic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.052823417 u |
| Formula | C11H10O5 |
| InChI | InChI=1S/C11H10O5/c1-7(12)15-10-5-3-4-9(6-10)11(14)16-8(2)13/h3-6H,1-2H3 |
| InChIKey | NBJUJOIKIGAIRE-UHFFFAOYSA-N |
| Molecular Weight | 222.196 g/mol |
| SMILES | C1=CC=C(C=C1C(=O)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970818 |