| SpectraBase Compound ID | 2FZMCsnlMGs |
|---|---|
| InChI | InChI=1S/C8H10O3/c1-6(9)11-8-5-3-2-4-7(8)10/h2,4,8H,3,5H2,1H3 |
| InChIKey | FUSJDZULOVJEKS-UHFFFAOYSA-N |
| Mol Weight | 154.16 g/mol |
| Molecular Formula | C8H10O3 |
| Exact Mass | 154.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9OM1YWxwl7G |
|---|---|
| Name | (2-Oxidanylidenecyclohex-3-en-1-yl) ethanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.062994179 u |
| Formula | C8H10O3 |
| InChI | InChI=1S/C8H10O3/c1-6(9)11-8-5-3-2-4-7(8)10/h2,4,8H,3,5H2,1H3 |
| InChIKey | FUSJDZULOVJEKS-UHFFFAOYSA-N |
| SMILES | C1(C(OC(=O)C)CCC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.823435 |