| SpectraBase Compound ID | 8fahwMv51A2 |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3 |
| InChIKey | WEHCCFDMIBZMBC-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B2sKFSZgJN5 |
|---|---|
| Name | 3-Cyclopentylpropionic acid, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-3-10(2)14-12(13)9-8-11-6-4-5-7-11/h1,10-11H,4-9H2,2H3 |
| InChIKey | WEHCCFDMIBZMBC-UHFFFAOYSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(=O)(OC(C)C#C)CCC1CCCC1 |