| SpectraBase Compound ID | 8tArFJd3COt |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-4-12-17-14-11-15-18(17)13-9-7-5-6-8-10-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey | LFIBOCIUNNYIJD-QZTJIDSGSA-N |
| Mol Weight | 296.5 g/mol |
| Molecular Formula | C19H36O2 |
| Exact Mass | 296.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYL3x7NKGSg |
|---|---|
| Name | Methyl trans-9-(2-butylcyclopentyl)nonanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.271530397 u |
| Formula | C19H36O2 |
| InChI | InChI=1S/C19H36O2/c1-3-4-12-17-14-11-15-18(17)13-9-7-5-6-8-10-16-19(20)21-2/h17-18H,3-16H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey | LFIBOCIUNNYIJD-QZTJIDSGSA-N |
| SMILES | C(C(OC)=O)CCCCCCC[C@@]1(CCC[C@]1(CCCC)[H])[H] |