| SpectraBase Compound ID | AgDARwvqCmS |
|---|---|
| InChI | InChI=1S/C8H10O3/c1-5-3-7(10)8(4-5)11-6(2)9/h3,8H,4H2,1-2H3 |
| InChIKey | GMJJXIJTRHSHMC-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 | 7peAhx606zy |
|---|---|
| Name | (4-Methyl-2-oxidanylidene-cyclopent-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/c1-5-3-7(10)8(4-5)11-6(2)9/h3,8H,4H2,1-2H3 |
| InChIKey | GMJJXIJTRHSHMC-UHFFFAOYSA-N |
| SMILES | C1(C=C(C)CC1OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87191 |