| SpectraBase Compound ID | 6i9xILoZRTF |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-5-6-10-7-8-12(13)11(10)9-14-4-2/h3-9H2,1-2H3 |
| InChIKey | IHSKZZJYUSRUOB-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Meye2DtlCt |
|---|---|
| Name | 2-(Ethoxymethyl)-3-butyl-2-cyclopenten-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-3-5-6-10-7-8-12(13)11(10)9-14-4-2/h3-9H2,1-2H3 |
| InChIKey | IHSKZZJYUSRUOB-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(=O)C(=C(CC1)CCCC)COCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82932 |