| SpectraBase Compound ID | 3QDDcU7q0YZ |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-3-5-6(8-5)4(2)7/h5-6H,3H2,1-2H3 |
| InChIKey | MXXCXQDATRPYND-UHFFFAOYSA-N |
| Mol Weight | 114.14 g/mol |
| Molecular Formula | C6H10O2 |
| Exact Mass | 114.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Liu96L4IKyY |
|---|---|
| Name | Ethanone, 1-(3-ethyloxiranyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.068079560 u |
| Formula | C6H10O2 |
| InChI | InChI=1S/C6H10O2/c1-3-5-6(8-5)4(2)7/h5-6H,3H2,1-2H3 |
| InChIKey | MXXCXQDATRPYND-UHFFFAOYSA-N |
| Molecular Weight | 114.144 g/mol |
| SMILES | C(C)(=O)C1C(CC)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900002 |