| SpectraBase Compound ID | 23rZH1vEnq0 |
|---|---|
| InChI | InChI=1S/C18H16O2/c1-3-16(14-10-6-4-7-11-14)17(18(19)20-2)15-12-8-5-9-13-15/h3-13H,1H2,2H3 |
| InChIKey | JPCCBEIHTHBJBI-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C18H16O2 |
| Exact Mass | 264.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bll8ZLAuzSk |
|---|---|
| Name | Methyl 2,3-diphenylpenta-2,4-dienoate (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.115029753 u |
| Formula | C18H16O2 |
| InChI | InChI=1S/C18H16O2/c1-3-16(14-10-6-4-7-11-14)17(18(19)20-2)15-12-8-5-9-13-15/h3-13H,1H2,2H3 |
| InChIKey | JPCCBEIHTHBJBI-UHFFFAOYSA-N |
| Molecular Weight | 264.324 g/mol |
| SMILES | C(\C(=C\(C1=CC=CC=C1)C(OC)=O)C=1C=CC=CC1)=C |