| SpectraBase Compound ID | 51v76UUUNUt |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h8H,2-7H2,1H3 |
| InChIKey | WXQCUJQZHHWZLU-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1MWTLRoOzMt |
|---|---|
| Name | Cyclohexanepropanoic 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 | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h8H,2-7H2,1H3 |
| InChIKey | WXQCUJQZHHWZLU-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C1(=O)CC(CCC(OC)=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947086 |