| SpectraBase Compound ID | 2pTjnFwjE7 |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-4-5-6-7-8-10(9(2)3)11(12)13/h9-10H,4,7-8H2,1-3H3,(H,12,13) |
| InChIKey | GEFCEXWUKDJIBL-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EtN4aCdaDYL |
|---|---|
| Name | 2-Isopropyloct-5-ynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-4-5-6-7-8-10(9(2)3)11(12)13/h9-10H,4,7-8H2,1-3H3,(H,12,13) |
| InChIKey | GEFCEXWUKDJIBL-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(C(C(C)C)CCC#CCC)(=O)O |