| SpectraBase Compound ID | Df0ldIj3f2z |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6H,2-5H2,1H3 |
| InChIKey | CPXMFVOUUXTIOH-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5QHB3RMYuKK |
|---|---|
| Name | Methyl 3-oxocyclopentaneacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-11-8(10)5-6-2-3-7(9)4-6/h6H,2-5H2,1H3 |
| InChIKey | CPXMFVOUUXTIOH-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(CC(CC1)=O)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983496 |