| SpectraBase Compound ID | 9DbNsS1xkkI |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+ |
| InChIKey | CMDBGQQPIQOIAK-ZRDIBKRKSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MmkZcAwC7f |
|---|---|
| Name | (2E)-2-(Phenylmethylene)butanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3/b12-10+ |
| InChIKey | CMDBGQQPIQOIAK-ZRDIBKRKSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(\C(=C\C=1C=CC=CC1)CC)(=O)OCC |