![3-[((E)-but-2-enyl)oxy]-butan-2-one](/api/spectrum/1HcYtQQGXVm/structure.png?h=300&w=458 "3-[((E)-but-2-enyl)oxy]-butan-2-one")
| SpectraBase Compound ID | 2wBZ4blAPy5 |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-4-5-6-10-8(3)7(2)9/h4-5,8H,6H2,1-3H3/b5-4+ |
| InChIKey | AWWTXUUWBMKNIR-SNAWJCMRSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HcYtQQGXVm |
|---|---|
| Name | 3-[((E)-but-2-enyl)oxy]-butan-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-4-5-6-10-8(3)7(2)9/h4-5,8H,6H2,1-3H3/b5-4+ |
| InChIKey | AWWTXUUWBMKNIR-SNAWJCMRSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(=O)(C(OC\C=C\C)C)C |