| SpectraBase Compound ID | QBcqhjIiuw |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h1,14H,5-13H2,2-3H3 |
| InChIKey | KDUWBXGOYJXAPO-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 | 4XnacVxCONd |
|---|---|
| Name | Undec-10-ynoic acid, isobutyl 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/c1-4-5-6-7-8-9-10-11-12-15(16)17-13-14(2)3/h1,14H,5-13H2,2-3H3 |
| InChIKey | KDUWBXGOYJXAPO-UHFFFAOYSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | C(CCCC(OCC(C)C)=O)CCCCC#C |