| SpectraBase Compound ID | JXJpKet10Tx |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h1,10H,5-8H2,2-3H3 |
| InChIKey | CYTVCYOUOAIOPI-UHFFFAOYSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9di2DaT7aBj |
|---|---|
| Name | Methyl 2-acetyloct-7-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-4-5-6-7-8-10(9(2)12)11(13)14-3/h1,10H,5-8H2,2-3H3 |
| InChIKey | CYTVCYOUOAIOPI-UHFFFAOYSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(C(=O)OC)(C(=O)C)CCCCC#C |