| SpectraBase Compound ID | 9qx9gaMo1yx |
|---|---|
| InChI | InChI=1S/C28H12F48O4/c29-7(23(59,60)61,24(62,63)64)5(9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)27(71,72)73)77-81-79-1-2-80(4-3-79)82-78-6(8(30,25(65,66)67)26(68,69)70)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)28(74,75)76/h5-6H,1-4H2 |
| InChIKey | COJXSHJRRLGDPO-UHFFFAOYSA-N |
| Mol Weight | 1326.34 g/mol |
| Molecular Formula | C28H14F48O4 |
| Exact Mass | 1326.012561 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JJfF1Y3QlIW |
|---|---|
| Name | 3-HYDROPERFLUORO-2-METHYL-3-UNDECANOL-1,4-DIOXANE 2:1 COMPLEX |
| Comments | SCALE INVERTED;CLA-5535 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H14F48O4 |
| InChI | InChI=1S/C28H12F48O4/c29-7(23(59,60)61,24(62,63)64)5(9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)27(71,72)73)77-81-79-1-2-80(4-3-79)82-78-6(8(30,25(65,66)67)26(68,69)70)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)28(74,75)76/h5-6H,1-4H2 |
| InChIKey | COJXSHJRRLGDPO-UHFFFAOYSA-N |
| Instrument Name | SEE COMMENT |
| Literature Reference | YA.M.VILENCHIK, G.I.LEKONTSEVA, L.S.SEMERIKOVA, E.A.OSTAPENKO, P.K.NEIFELD,K.I.FROLOV, N.B.POSPELOVA, V.A.PONOMARENKO (1983) Zhurn.Org.Khim.(Russ. Lang.):v.19, N5, 1100-1103. |
| NMR Standard | CCl3F |
| Observed nucleus | 19F |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | C4H8O2 dioxane |