| SpectraBase Compound ID | 6L4ZCvPM93n |
|---|---|
| InChI | InChI=1S/C18H11F5O3/c19-17(20,18(21,22)23)16(25)26-14-9-6-12(7-10-14)8-11-15(24)13-4-2-1-3-5-13/h1-11H/b11-8+ |
| InChIKey | RYHCBYNXHVTMBM-DHZHZOJOSA-N |
| Mol Weight | 370.28 g/mol |
| Molecular Formula | C18H11F5O3 |
| Exact Mass | 370.062835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G8dFzQ7uJ3 |
|---|---|
| Name | 4-Hydroxychalcone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.062835026 u |
| Formula | C18H11F5O3 |
| InChI | InChI=1S/C18H11F5O3/c19-17(20,18(21,22)23)16(25)26-14-9-6-12(7-10-14)8-11-15(24)13-4-2-1-3-5-13/h1-11H/b11-8+ |
| InChIKey | RYHCBYNXHVTMBM-DHZHZOJOSA-N |
| Molecular Weight | 370.275 g/mol |
| SMILES | C1(=CC=CC=C1)C(\C=C\C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)=O |