| SpectraBase Compound ID | LRePOS7eFSW |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h3,5,7-11H2,1-2H3 |
| InChIKey | AAWSOYWONWMRIM-UHFFFAOYSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C896HszLlej |
|---|---|
| Name | Carbonic acid, but-2-yn-1-yl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-3-5-7-8-9-11-15-12(13)14-10-6-4-2/h3,5,7-11H2,1-2H3 |
| InChIKey | AAWSOYWONWMRIM-UHFFFAOYSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(CCOC(OCC#CC)=O)CCCC |