| SpectraBase Compound ID | HYt8VVyX8ul |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-4(8)7(5(2)9)11-6(3)10/h7H,1-3H3 |
| InChIKey | VNHXHQHXCVTHJL-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ExyksHzqCJ8 |
|---|---|
| Name | (1-Acetyl-2-oxo-propyl) acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-4(8)7(5(2)9)11-6(3)10/h7H,1-3H3 |
| InChIKey | VNHXHQHXCVTHJL-UHFFFAOYSA-N |
| SMILES | CC(C(C(C)=O)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955721 |