| SpectraBase Compound ID | 11XXCUyfeb0 |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-4-7(9)5(2)10-6(3)8/h5H,4H2,1-3H3 |
| InChIKey | DYGIVYGSRWAUNB-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B1pMc69R7WE |
|---|---|
| Name | 2-(Acetyloxy)-3-pentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-4-7(9)5(2)10-6(3)8/h5H,4H2,1-3H3 |
| InChIKey | DYGIVYGSRWAUNB-UHFFFAOYSA-N |
| SMILES | C(=O)(CC)C(OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985043 |