| SpectraBase Compound ID | 4ZJW6MoQSyt |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-7(10)5-6-8-3-2-4-9(8)11/h3H,2,4-6H2,1H3 |
| InChIKey | SRZSHWGTCZOEPA-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JySbhGMUIBS |
|---|---|
| Name | 2-(3-Ketobutyl)cyclopent-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-7(10)5-6-8-3-2-4-9(8)11/h3H,2,4-6H2,1H3 |
| InChIKey | SRZSHWGTCZOEPA-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C=1(C(=O)CCC1)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96272 |