| SpectraBase Compound ID | AliUBnOWM9v |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-2-3-4-5-11-10(6-8-12(11)14)7-9-13(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-,11-/m0/s1 |
| InChIKey | IVXLMVMPAPTWBI-QWRGUYRKSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Di8vyX7FBPS |
|---|---|
| Name | (1S,2S)-3-(2-Pentyl-3-oxocyclopentyl)-propionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-2-3-4-5-11-10(6-8-12(11)14)7-9-13(15)16/h10-11H,2-9H2,1H3,(H,15,16)/t10-,11-/m0/s1 |
| InChIKey | IVXLMVMPAPTWBI-QWRGUYRKSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C(=O)(O)CC[C@]1([C@@](C(CC1)=O)(CCCCC)[H])[H] |