| SpectraBase Compound ID | C6LZBfH1p2C |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-2-12-9(11)6-8-7(10)4-3-5-13-8/h8H,2-6H2,1H3 |
| InChIKey | RVFHZJPHQBRIBS-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 719COBxdJcF |
|---|---|
| Name | 2-(3-Ketotetrahydropyran-2-yl)acetic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-2-12-9(11)6-8-7(10)4-3-5-13-8/h8H,2-6H2,1H3 |
| InChIKey | RVFHZJPHQBRIBS-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(C1C(=O)CCCO1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963307 |