| SpectraBase Compound ID | 2UwOAQFCTC3 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-3-5-7-8-10(11)12-9-6-4-2/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | OPVSKLFHWQRZKR-BQYQJAHWSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93yISaVjCV4 |
|---|---|
| Name | 2-Hexenoic acid, butyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-3-5-7-8-10(11)12-9-6-4-2/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | OPVSKLFHWQRZKR-BQYQJAHWSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(\C=C\CCC)(OCCCC)=O |