| SpectraBase Compound ID | 4pccgcVyVmW |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-6-7-8-10(11)12-9(3)5-2/h2,9H,4,6-8H2,1,3H3 |
| InChIKey | KSURAUYMISABRX-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TzSzfsXkhL |
|---|---|
| Name | Hexanoic 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 | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-6-7-8-10(11)12-9(3)5-2/h2,9H,4,6-8H2,1,3H3 |
| InChIKey | KSURAUYMISABRX-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | CCCCCC(=O)OC(C#C)C |