| SpectraBase Compound ID | 5SlviALZJjf |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2- |
| InChIKey | CBRZDGMGLYOALR-DJWKRKHSSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Q3IlfCio2J |
|---|---|
| Name | (5Z)-5-Ethylidene-2-oxolanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h2H,3-4H2,1H3/b5-2- |
| InChIKey | CBRZDGMGLYOALR-DJWKRKHSSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C1(CC\C(=C\C)O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983523 |