| SpectraBase Compound ID | 4iCTTtXfHsx |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-5-8(11)6-7-13-9(12)10(2,3)4/h5-7H2,1-4H3 |
| InChIKey | AXNMIDRANOVFFH-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2M4I7Wpcefk |
|---|---|
| Name | 3-Oxopentyl 2,2-dimethylpropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-5-8(11)6-7-13-9(12)10(2,3)4/h5-7H2,1-4H3 |
| InChIKey | AXNMIDRANOVFFH-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCCC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865805 |