![Oxiranecarboxaldehyde, 3-(4-hexenyl)-, [2.alpha.,3.beta.(E)]-](/api/spectrum/5xEHzJ2yUZ1/structure.png?h=300&w=458 "Oxiranecarboxaldehyde, 3-(4-hexenyl)-, [2.alpha.,3.beta.(E)]-")
| SpectraBase Compound ID | 9BglzN4mgbj |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-2-3-4-5-6-8-9(7-10)11-8/h2-3,7-9H,4-6H2,1H3/b3-2+/t8-,9-/m1/s1 |
| InChIKey | MZJNFLAKCUAZRH-KHVQUVQLSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xEHzJ2yUZ1 |
|---|---|
| Name | Oxiranecarboxaldehyde, 3-(4-hexenyl)-, [2.alpha.,3.beta.(E)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-2-3-4-5-6-8-9(7-10)11-8/h2-3,7-9H,4-6H2,1H3/b3-2+/t8-,9-/m1/s1 |
| InChIKey | MZJNFLAKCUAZRH-KHVQUVQLSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | [C@]1(O[C@@]1(CCC\C=C\C)[H])(C=O)[H] |