| SpectraBase Compound ID | LKzEWpCF0pQ |
|---|---|
| InChI | InChI=1S/C35H50F12O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-28(20,4)25(22)14-16-29(23,24)5)51-27(48)26(36)30(49,50)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26,49-50H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1 |
| InChIKey | XBKVGYTVIXDCOS-BGXMBWOSSA-N |
| Mol Weight | 762.8 g/mol |
| Molecular Formula | C35H50F12O4 |
| Exact Mass | 762.351748 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BoSQbBQGbY |
|---|---|
| Name | CHOLESTANYL 2-HYDRO-3-OXOPERFLUOROOCTANOATE, HYDRATE |
| Comments | J(C-F)=25.8 AND 21.9 MAY BE REASSIGNED. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H50F12O4 |
| InChI | InChI=1S/C35H50F12O4/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-28(20,4)25(22)14-16-29(23,24)5)51-27(48)26(36)30(49,50)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26,49-50H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,28-,29+/m1/s1 |
| InChIKey | XBKVGYTVIXDCOS-BGXMBWOSSA-N |
| Instrument Name | Bruker WP-60 |
| Literature Reference | M.IZNADEN, C.PORTELLA (1989) J.Fluor.Chem.: v.43, N1, 105-118. |
| NMR Standard | CCl3F |
| Observed nucleus | 19F |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |