| SpectraBase Compound ID | 9gaCp43gcsl |
|---|---|
| InChI | InChI=1S/C8H14O/c1-2-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | COHMZOFFBRKADW-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F5Hvg7W1laD |
|---|---|
| Name | 1-Cyclopentyl-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-2-8(9)7-5-3-4-6-7/h7H,2-6H2,1H3 |
| InChIKey | COHMZOFFBRKADW-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C1(CCCC1)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924843 |