| SpectraBase Compound ID | 8LTe1j9RESE |
|---|---|
| InChI | InChI=1S/C18H11F5O2/c19-14-12(15(20)17(22)18(23)16(14)21)7-4-10-25-13(24)9-8-11-5-2-1-3-6-11/h1-9H,10H2/b7-4+,9-8+ |
| InChIKey | NRNJWQPHPUWTRU-NUXDXBQRSA-N |
| Mol Weight | 354.28 g/mol |
| Molecular Formula | C18H11F5O2 |
| Exact Mass | 354.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRe1rwpS83n |
|---|---|
| Name | (E)-3-(Pentafluorophenyl)allyl cinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.067920407 u |
| Formula | C18H11F5O2 |
| InChI | InChI=1S/C18H11F5O2/c19-14-12(15(20)17(22)18(23)16(14)21)7-4-10-25-13(24)9-8-11-5-2-1-3-6-11/h1-9H,10H2/b7-4+,9-8+ |
| InChIKey | NRNJWQPHPUWTRU-NUXDXBQRSA-N |
| Molecular Weight | 354.276 g/mol |
| SMILES | C=1(C(F)=C(\C=C\COC(=O)\C=C\C2=CC=CC=C2)C(=C(F)C1F)F)F |