| SpectraBase Compound ID | 5EIsR88OK9o |
|---|---|
| InChI | InChI=1S/C13H14F5NO2/c1-19(2)8-7-9-3-5-10(6-4-9)21-11(20)12(14,15)13(16,17)18/h3-6H,7-8H2,1-2H3 |
| InChIKey | QYTYDDOGNXZGAK-UHFFFAOYSA-N |
| Mol Weight | 311.25 g/mol |
| Molecular Formula | C13H14F5NO2 |
| Exact Mass | 311.09447 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2T7Xs3HY0Ub |
|---|---|
| Name | Hordenin pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.094469508 u |
| Formula | C13H14F5NO2 |
| InChI | InChI=1S/C13H14F5NO2/c1-19(2)8-7-9-3-5-10(6-4-9)21-11(20)12(14,15)13(16,17)18/h3-6H,7-8H2,1-2H3 |
| InChIKey | QYTYDDOGNXZGAK-UHFFFAOYSA-N |
| Molecular Weight | 311.252 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(=O)C(C(F)(F)F)(F)F)CCN(C)C |