| SpectraBase Compound ID | COfpRgxGg78 |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-4-5-8-13-11(12)14-9-6-7-10(2)3/h1,10H,5-9H2,2-3H3 |
| InChIKey | LEOVYGPHDGNOBT-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 | 9NgIXUcyM3a |
|---|---|
| Name | Carbonic acid, but-3-yn-1-yl isohexyl 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/c1-4-5-8-13-11(12)14-9-6-7-10(2)3/h1,10H,5-9H2,2-3H3 |
| InChIKey | LEOVYGPHDGNOBT-UHFFFAOYSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | C(OCCCC(C)C)(=O)OCCC#C |