| SpectraBase Compound ID | DdwGnkpp8Wp |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)7-4-5-8(10)6(7)2/h6-7H,3-5H2,1-2H3 |
| InChIKey | XJBOODCLUPPCOG-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 13ArTrHf65v |
|---|---|
| Name | Ethyl 2-methyl-3-oxocyclopentane-1-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)7-4-5-8(10)6(7)2/h6-7H,3-5H2,1-2H3 |
| InChIKey | XJBOODCLUPPCOG-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(CCC(C1C)C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978536 |