![3-[(1S,2S)-2-allyl-3-keto-cyclopentyl]propionic acid ethyl ester](/api/spectrum/92fQYBF800w/structure.png?h=300&w=458 "3-[(1S,2S)-2-allyl-3-keto-cyclopentyl]propionic acid ethyl ester")
| SpectraBase Compound ID | ADyo3euNpUW |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-3-5-11-10(6-8-12(11)14)7-9-13(15)16-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m0/s1 |
| InChIKey | PDYBVDPRRKPWII-QWRGUYRKSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92fQYBF800w |
|---|---|
| Name | 3-[(1S,2S)-2-Allyl-3-keto-cyclopentyl]propionic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-3-5-11-10(6-8-12(11)14)7-9-13(15)16-4-2/h3,10-11H,1,4-9H2,2H3/t10-,11-/m0/s1 |
| InChIKey | PDYBVDPRRKPWII-QWRGUYRKSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C1([C@]([C@](CCC(=O)OCC)(CC1)[H])(CC=C)[H])=O |