| SpectraBase Compound ID | 2clwUI3pLNo |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-4-7(9)10-6(3)5(2)8/h6H,4H2,1-3H3 |
| InChIKey | IJYLYUNIYOAVJM-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 | 85CSGbPHlS5 |
|---|---|
| Name | 3-(1-Oxopropoxy)-2-butanone |
| 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)10-6(3)5(2)8/h6H,4H2,1-3H3 |
| InChIKey | IJYLYUNIYOAVJM-UHFFFAOYSA-N |
| SMILES | C(=O)(C)C(C)OC(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866862 |