| SpectraBase Compound ID | KCbtRVG6ZLX |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h1,13H,5-12,14H2,2-3H3 |
| InChIKey | PDJHJYUEGLJIHR-UHFFFAOYSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EFyM2TQarKK |
|---|---|
| Name | Undec-10-ynoic acid, 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h1,13H,5-12,14H2,2-3H3 |
| InChIKey | PDJHJYUEGLJIHR-UHFFFAOYSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C(CCCC(OCC=C(C)C)=O)CCCCC#C |