| SpectraBase Compound ID | Fc9yaBBWnMX |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h1-2,14H,6-13H2,3H3 |
| InChIKey | WZSNKPVAHBCPQT-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQ2y73STAI8 |
|---|---|
| Name | Undec-10-ynoic 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 | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-4-6-7-8-9-10-11-12-13-15(16)17-14(3)5-2/h1-2,14H,6-13H2,3H3 |
| InChIKey | WZSNKPVAHBCPQT-UHFFFAOYSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(CCCC(OC(C#C)C)=O)CCCCC#C |