| SpectraBase Compound ID | 9SPFGMtP9bB |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-11(15)8-9-13(14(16)17-2)10-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/b13-10- |
| InChIKey | ALEPQALCVBFYKV-RAXLEYEMSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BxBXOoGRKEs |
|---|---|
| Name | Methyl 2-benzylidene-5-oxohexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.109944372 u |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-11(15)8-9-13(14(16)17-2)10-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3/b13-10- |
| InChIKey | ALEPQALCVBFYKV-RAXLEYEMSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | C(\C(=C/C=1C=CC=CC1)CCC(=O)C)(=O)OC |