| SpectraBase Compound ID | LKWf0l6WN6D |
|---|---|
| InChI | InChI=1S/C10H14O4/c1-7(11)6-10(9(13)14-2)5-3-4-8(10)12/h3-6H2,1-2H3 |
| InChIKey | UUCCQSKTRCQYOD-UHFFFAOYSA-N |
| Mol Weight | 198.22 g/mol |
| Molecular Formula | C10H14O4 |
| Exact Mass | 198.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCdnuHFLmf2 |
|---|---|
| Name | 1-Acetonyl-2-keto-cyclopentanecarboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.089208927 u |
| Formula | C10H14O4 |
| InChI | InChI=1S/C10H14O4/c1-7(11)6-10(9(13)14-2)5-3-4-8(10)12/h3-6H2,1-2H3 |
| InChIKey | UUCCQSKTRCQYOD-UHFFFAOYSA-N |
| Molecular Weight | 198.218 g/mol |
| SMILES | C1(C(=O)OC)(C(=O)CCC1)CC(=O)C |