| SpectraBase Compound ID | 4vRkK1otp9m |
|---|---|
| InChI | InChI=1S/C14H10F6O5/c1-23-10-7-8(3-2-6-24-11(21)13(15,16)17)4-5-9(10)25-12(22)14(18,19)20/h2-5,7H,6H2,1H3/b3-2+ |
| InChIKey | YFJAKLUPKYORII-NSCUHMNNSA-N |
| Mol Weight | 372.22 g/mol |
| Molecular Formula | C14H10F6O5 |
| Exact Mass | 372.043242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8texZLAZJ2B |
|---|---|
| Name | Coniferyl alcohol, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.043242395 u |
| Formula | C14H10F6O5 |
| InChI | InChI=1S/C14H10F6O5/c1-23-10-7-8(3-2-6-24-11(21)13(15,16)17)4-5-9(10)25-12(22)14(18,19)20/h2-5,7H,6H2,1H3/b3-2+ |
| InChIKey | YFJAKLUPKYORII-NSCUHMNNSA-N |
| Molecular Weight | 372.219 g/mol |
| SMILES | C1=C(C(=CC=C1\C=C\COC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC |