| SpectraBase Compound ID | DN1aOdfy4H8 |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-4,11-12,14H,2,5-10H2,1H3/b4-3-/t11-,12+/m1/s1 |
| InChIKey | OPFOAHONWWAQLC-BKGLOODYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9w6QnsRS8g4 |
|---|---|
| Name | (+/-)-(3Z)-3-hexenyl cis-2-hydroxycyclohexanecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-4,11-12,14H,2,5-10H2,1H3/b4-3-/t11-,12+/m1/s1 |
| InChIKey | OPFOAHONWWAQLC-BKGLOODYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | [C@]1([C@](CCCC1)(O)[H])(C(=O)OCC\C=C/CC)[H] |