| SpectraBase Compound ID | 3O0k9rVBYIR |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+ |
| InChIKey | JVAHJKQGNCOTIU-XYOKQWHBSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWsPH18Jd5J |
|---|---|
| Name | (E)-Methyl 7-phenylhept-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-16-14(15)12-8-3-2-5-9-13-10-6-4-7-11-13/h4,6-8,10-12H,2-3,5,9H2,1H3/b12-8+ |
| InChIKey | JVAHJKQGNCOTIU-XYOKQWHBSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C=1C=C(C=CC1)CCCC\C=C\C(OC)=O |