| SpectraBase Compound ID | PO9OokNb0t |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-10(13)16-9-12(14)8-15-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | FKRUYTGEMCATQK-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KprnUuSspHn |
|---|---|
| Name | 1-Benzyloxy-3-acetoxypropan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-10(13)16-9-12(14)8-15-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | FKRUYTGEMCATQK-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(C(COC(=O)C)=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935206 |