| SpectraBase Compound ID | EZgNor3fDAt |
|---|---|
| InChI | InChI=1S/C14H13F5O4/c1-8(20)3-4-9-5-6-10(11(7-9)22-2)23-12(21)13(15,16)14(17,18)19/h5-7H,3-4H2,1-2H3 |
| InChIKey | CXZVWIOTXVWZTJ-UHFFFAOYSA-N |
| Mol Weight | 340.25 g/mol |
| Molecular Formula | C14H13F5O4 |
| Exact Mass | 340.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4N7TkT7NTn9 |
|---|---|
| Name | Zingerone, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.073399710 u |
| Formula | C14H13F5O4 |
| InChI | InChI=1S/C14H13F5O4/c1-8(20)3-4-9-5-6-10(11(7-9)22-2)23-12(21)13(15,16)14(17,18)19/h5-7H,3-4H2,1-2H3 |
| InChIKey | CXZVWIOTXVWZTJ-UHFFFAOYSA-N |
| Molecular Weight | 340.246 g/mol |
| SMILES | C(CC(C)=O)C1=CC(OC)=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |