| SpectraBase Compound ID | CUTlptgR6tM |
|---|---|
| InChI | InChI=1S/C16H22O2/c1-3-5-7-12-15(16(17)18-4-2)13-14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13+ |
| InChIKey | WJMCJUMGLBYPCW-FYWRMAATSA-N |
| Mol Weight | 246.35 g/mol |
| Molecular Formula | C16H22O2 |
| Exact Mass | 246.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9q1TMXaP7t |
|---|---|
| Name | (2E)-2-(Phenylmethylene)heptanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.161979946 u |
| Formula | C16H22O2 |
| InChI | InChI=1S/C16H22O2/c1-3-5-7-12-15(16(17)18-4-2)13-14-10-8-6-9-11-14/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-13+ |
| InChIKey | WJMCJUMGLBYPCW-FYWRMAATSA-N |
| Molecular Weight | 246.350 g/mol |
| SMILES | C(\C(=C\C=1C=CC=CC1)CCCCC)(=O)OCC |