| SpectraBase Compound ID | ICK1OMlC9ad |
|---|---|
| InChI | InChI=1S/C13H9F15N2O/c14-7(15,6-5(2-1-3-31)4-29-30-6)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4,31H,1-3H2,(H,29,30) |
| InChIKey | BWDVDGYVYDNQEU-UHFFFAOYSA-N |
| Mol Weight | 494.2 g/mol |
| Molecular Formula | C13H9F15N2O |
| Exact Mass | 494.047535 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pWpfnpv7HB |
|---|---|
| Name | 4-(3-HYDROXYPROPYL)-3-PENTADECAFLUOROHEPTYLPYRAZOLE |
| Compound Number | 4CD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H9F15N2O |
| InChI | InChI=1S/C13H9F15N2O/c14-7(15,6-5(2-1-3-31)4-29-30-6)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h4,31H,1-3H2,(H,29,30) |
| InChIKey | BWDVDGYVYDNQEU-UHFFFAOYSA-N |
| Literature Reference Author | X.Q.TANG,C.M.HU |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1039(1995) |
| Literature Reference DOI | 10.1039/p19950001039 |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ3969 |