| SpectraBase Compound ID | C2XuYcE46b7 |
|---|---|
| InChI | InChI=1S/C12H6F10O2/c13-9(14,11(18,19)12(20,21)22)8(23)24-5-6-1-3-7(4-2-6)10(15,16)17/h1-4H,5H2 |
| InChIKey | DZFVJLIVGIAXIE-UHFFFAOYSA-N |
| Mol Weight | 372.16 g/mol |
| Molecular Formula | C12H6F10O2 |
| Exact Mass | 372.020811 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ELGq1R0drOt |
|---|---|
| Name | 4-(Trifluoromethyl) benzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.020811061 u |
| Formula | C12H6F10O2 |
| InChI | InChI=1S/C12H6F10O2/c13-9(14,11(18,19)12(20,21)22)8(23)24-5-6-1-3-7(4-2-6)10(15,16)17/h1-4H,5H2 |
| InChIKey | DZFVJLIVGIAXIE-UHFFFAOYSA-N |
| Molecular Weight | 372.162 g/mol |
| SMILES | C1=CC(=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F |