| SpectraBase Compound ID | LBIKm30gqQR |
|---|---|
| InChI | InChI=1S/C16H18O2/c1-2-18-16(17)12-9-13-7-10-15(11-8-13)14-5-3-4-6-14/h3,5,7-12,14H,2,4,6H2,1H3/b12-9+ |
| InChIKey | UIPJDWHMTXXXCC-FMIVXFBMSA-N |
| Mol Weight | 242.32 g/mol |
| Molecular Formula | C16H18O2 |
| Exact Mass | 242.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RDVaVlrhy9 |
|---|---|
| Name | (E)-3-(4-Cyclopent-2-en-1-ylphenyl)acrylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.130679818 u |
| Formula | C16H18O2 |
| InChI | InChI=1S/C16H18O2/c1-2-18-16(17)12-9-13-7-10-15(11-8-13)14-5-3-4-6-14/h3,5,7-12,14H,2,4,6H2,1H3/b12-9+ |
| InChIKey | UIPJDWHMTXXXCC-FMIVXFBMSA-N |
| Molecular Weight | 242.318 g/mol |
| SMILES | C(\C=C\C1=CC=C(C=C1)C1C=CCC1)(=O)OCC |