| SpectraBase Compound ID | G6ooTxEVSf5 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7(2)6-8-4-3-5-9(8)10/h4,7H,3,5-6H2,1-2H3 |
| InChIKey | AEXVKFSRZVVVDX-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 | EnKsctT265C |
|---|---|
| Name | 2-Isobutylcyclopent-2-en-1-one |
| 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/c1-7(2)6-8-4-3-5-9(8)10/h4,7H,3,5-6H2,1-2H3 |
| InChIKey | AEXVKFSRZVVVDX-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C=1(C(=O)CCC1)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970599 |