| SpectraBase Compound ID | E3sSptEurZZ |
|---|---|
| InChI | InChI=1S/C17H16O2/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3,(H,18,19) |
| InChIKey | QIYONLMNXFIIRM-UHFFFAOYSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C17H16O2 |
| Exact Mass | 252.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FI0QRnGEous |
|---|---|
| Name | 4,4-Diphenyl-2-methyl-3-butenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.115029753 u |
| Formula | C17H16O2 |
| InChI | InChI=1S/C17H16O2/c1-13(17(18)19)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13H,1H3,(H,18,19) |
| InChIKey | QIYONLMNXFIIRM-UHFFFAOYSA-N |
| Molecular Weight | 252.313 g/mol |
| SMILES | OC(C(C=C(C1=CC=CC=C1)C=1C=CC=CC1)C)=O |