| SpectraBase Compound ID | HgSxsdlHlsz |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h2,6,8H,3,5,7,9-10H2,1H3 |
| InChIKey | AIHFDXYXTHADDO-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Gl35ydNmLD |
|---|---|
| Name | Hexanoic acid, pent-2-en-4-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h2,6,8H,3,5,7,9-10H2,1H3 |
| InChIKey | AIHFDXYXTHADDO-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | CCCCCC(OCC=CC#C)=O |