| SpectraBase Compound ID | LCi5uUFyW0t |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-4-6-8(5-2)10-7(3)9/h5,8H,2,4,6H2,1,3H3 |
| InChIKey | XCAHGFCKEWDQJK-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kdze2dcEVER |
|---|---|
| Name | 1-Hexen-3-ol, acetate; hex-1-en-3-yl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-4-6-8(5-2)10-7(3)9/h5,8H,2,4,6H2,1,3H3 |
| InChIKey | XCAHGFCKEWDQJK-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C)(OC(C=C)CCC)=O |