| SpectraBase Compound ID | 1IsmdNtyxFx |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+ |
| InChIKey | QLAHTOAWSVBMSN-HWKANZROSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IFmruCS3yLk |
|---|---|
| Name | Pentanoic acid, 4-hexen-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h3,5H,4,6-10H2,1-2H3/b5-3+ |
| InChIKey | QLAHTOAWSVBMSN-HWKANZROSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(=O)(CCCC)OCCC\C=C\C |