| SpectraBase Compound ID | 1bcO6aQycvb |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h5,7-8H,2-4,6H2,1H3/b8-7+ |
| InChIKey | PFSRAWZVXMRECH-BQYQJAHWSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FBZEAQHKWPc |
|---|---|
| Name | (E)-3-(1-Cyclohexenyl)-2-propenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h5,7-8H,2-4,6H2,1H3/b8-7+ |
| InChIKey | PFSRAWZVXMRECH-BQYQJAHWSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(\C=C\C(=O)OC)=CCCCC1 |