| SpectraBase Compound ID | 1R84HMLgWQI |
|---|---|
| InChI | InChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h6H,2-5H2,1H3 |
| InChIKey | KGVGYHPHMLHEME-UHFFFAOYSA-N |
| Mol Weight | 168.19 g/mol |
| Molecular Formula | C9H12O3 |
| Exact Mass | 168.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4e9OhlQjUYL |
|---|---|
| Name | Methyl-3-(3-oxocyclopent-1-enyl)-propionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.078644243 u |
| Formula | C9H12O3 |
| InChI | InChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h6H,2-5H2,1H3 |
| InChIKey | KGVGYHPHMLHEME-UHFFFAOYSA-N |
| Molecular Weight | 168.192 g/mol |
| SMILES | C(=O)(CCC1=CC(=O)CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893986 |