| SpectraBase Compound ID | EpZG5in2Mrd |
|---|---|
| InChI | InChI=1S/C9H14O/c1-3-4-5-6-8-7(2)9(8)10/h3-6H2,1-2H3 |
| InChIKey | WZAGMEMNEBWBOI-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 | CKgleliyNa0 |
|---|---|
| Name | 2-Methyl-3-pentyl-2-cyclopropen-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/c1-3-4-5-6-8-7(2)9(8)10/h3-6H2,1-2H3 |
| InChIKey | WZAGMEMNEBWBOI-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1(=C(CCCCC)C1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981838 |