| SpectraBase Compound ID | LPlyVacLK7u |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-7-9-13(8-2)17-14(16)10-12(3)11-15(4,5)6/h12-13H,8,10-11H2,1-6H3 |
| InChIKey | PMXBDMXRFMGOQD-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C15H26O2 |
| Exact Mass | 238.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J0XQjrkjVgA |
|---|---|
| Name | Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.193280075 u |
| Formula | C15H26O2 |
| InChI | InChI=1S/C15H26O2/c1-7-9-13(8-2)17-14(16)10-12(3)11-15(4,5)6/h12-13H,8,10-11H2,1-6H3 |
| InChIKey | PMXBDMXRFMGOQD-UHFFFAOYSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | C(CC(OC(CC)C#CC)=O)(CC(C)(C)C)C |