| SpectraBase Compound ID | D6OuoLlxFY4 |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-2-14-11(13)8-4-6-9-5-3-7-10(9)12/h9H,2-8H2,1H3 |
| InChIKey | PXEGWANUQPGSFA-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4De9GSKTevJ |
|---|---|
| Name | Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-2-14-11(13)8-4-6-9-5-3-7-10(9)12/h9H,2-8H2,1H3 |
| InChIKey | PXEGWANUQPGSFA-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C1(C(CCC1)=O)CCCC(OCC)=O |