| SpectraBase Compound ID | Kpsje1bAOmy |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-4-7-8-9-10-11-12-13-15-17(18)19-16(6-3)14-5-2/h1,16H,6-13,15H2,2-3H3 |
| InChIKey | YMISBVOGWGPTQT-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kc1aWcmnoA |
|---|---|
| Name | Undec-10-ynoic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-4-7-8-9-10-11-12-13-15-17(18)19-16(6-3)14-5-2/h1,16H,6-13,15H2,2-3H3 |
| InChIKey | YMISBVOGWGPTQT-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(CCCC(OC(CC)C#CC)=O)CCCCC#C |