| SpectraBase Compound ID | WduYby1mKk |
|---|---|
| InChI | InChI=1S/C9H14O/c1-4-7-8(10)5-6-9(7,2)3/h5-7H,4H2,1-3H3 |
| InChIKey | AFCDATLZBZXPMI-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LY0cgFaaT1q |
|---|---|
| Name | 2-Cyclopenten-1-one, 5-ethyl-4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-4-7-8(10)5-6-9(7,2)3/h5-7H,4H2,1-3H3 |
| InChIKey | AFCDATLZBZXPMI-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1=CC(=O)C(C1(C)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95763 |