| SpectraBase Compound ID | CX73V8RQt94 |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3 |
| InChIKey | XLWYQNLUACCYOT-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2B1qwRMveSW |
|---|---|
| Name | Cyclohexaneacetic acid, 3-oxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h7H,2-6H2,1H3 |
| InChIKey | XLWYQNLUACCYOT-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(=O)CCCC(C1)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960938 |