| SpectraBase Compound ID | 6Tp1XBAgWHQ |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-5-6(2)9(11)12-8(4)7(3)10/h6,8H,5H2,1-4H3 |
| InChIKey | ZHZZFYPUGMKYGF-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3MgR7RIRvBx |
|---|---|
| Name | 3-Oxobutan-2-yl 2-methylbutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-5-6(2)9(11)12-8(4)7(3)10/h6,8H,5H2,1-4H3 |
| InChIKey | ZHZZFYPUGMKYGF-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(OC(C(CC)C)=O)(C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959696 |