| SpectraBase Compound ID | KVDKoHkevtv |
|---|---|
| InChI | InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-4-5(29-30-6)2-1-3-31/h4,31H,1-3H2,(H,29,30) |
| InChIKey | LKBZGRHAKOEGPA-UHFFFAOYSA-N |
| Mol Weight | 510.66 g/mol |
| Molecular Formula | C13H9ClF14N2O |
| Exact Mass | 510.017985 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FsLjeOpK5UP |
|---|---|
| Name | 3-(7-CHLOROTETRADECAFLUOROHEPTYL)-5-(3-HYDROXYPROPYL)-PYRAZOLE |
| Compound Number | 4DG |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H9ClF14N2O |
| InChI | InChI=1S/C13H9ClF14N2O/c14-13(27,28)12(25,26)11(23,24)10(21,22)9(19,20)8(17,18)7(15,16)6-4-5(29-30-6)2-1-3-31/h4,31H,1-3H2,(H,29,30) |
| InChIKey | LKBZGRHAKOEGPA-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 | UWMZ3978 |