| SpectraBase Compound ID | 8aZ0qqN7yn3 |
|---|---|
| InChI | InChI=1S/C35H48F12O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-29(20,4)25(22)14-16-30(23,24)5)50-28(49)26(36)27(48)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,29-,30+/m1/s1 |
| InChIKey | VFFZCDOCVATTRM-BNVBNVAHSA-N |
| Mol Weight | 744.7 g/mol |
| Molecular Formula | C35H48F12O3 |
| Exact Mass | 744.341183 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ouP2FsY8FR |
|---|---|
| Name | CHOLESTANYL 2-HYDRO-3-OXOPERFLUOROOCTANOATE, KETO |
| Comments | J(C-F)=27.1 AND 21.8 MAY BE REASSIGNED. MIXTURE WITH ENOL. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H48F12O3 |
| InChI | InChI=1S/C35H48F12O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-29(20,4)25(22)14-16-30(23,24)5)50-28(49)26(36)27(48)31(37,38)32(39,40)33(41,42)34(43,44)35(45,46)47/h18-26H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26?,29-,30+/m1/s1 |
| InChIKey | VFFZCDOCVATTRM-BNVBNVAHSA-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 |