| SpectraBase Compound ID | 2q6FzJJYvAW |
|---|---|
| InChI | InChI=1S/C18H18O2/c1-20-18(19)17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-14H,8,11H2,1H3/b17-14+ |
| InChIKey | XVOFVWPUPJXIKV-SAPNQHFASA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ntqxrlS4S |
|---|---|
| Name | Methyl (Z)-2,5-diphenylpent-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.130679818 u |
| Formula | C18H18O2 |
| InChI | InChI=1S/C18H18O2/c1-20-18(19)17(16-12-6-3-7-13-16)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-14H,8,11H2,1H3/b17-14+ |
| InChIKey | XVOFVWPUPJXIKV-SAPNQHFASA-N |
| Molecular Weight | 266.340 g/mol |
| SMILES | C(\C(=C\CCC=1C=CC=CC1)C=1C=CC=CC1)(=O)OC |