| SpectraBase Compound ID | 2DjFhW9UTwo |
|---|---|
| InChI | InChI=1S/C33H51FS/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-31(35-25-12-7-6-8-13-25)30(34)21-33(24,5)29(26)18-19-32(27,28)4/h6-8,12-13,22-24,26-31H,9-11,14-21H2,1-5H3/t23?,24-,26?,27?,28?,29?,30-,31-,32+,33-/m1/s1 |
| InChIKey | LVDUMYRMMNZIJX-AUBOCSRRSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C33H51FS |
| Exact Mass | 498.369551 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1sRkijV47V6 |
|---|---|
| Name | 2-BETA-FLUORO-3-ALPHA-PHENYLTHIOCHOLESTANE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H51FS |
| InChI | InChI=1S/C33H51FS/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-24-20-31(35-25-12-7-6-8-13-25)30(34)21-33(24,5)29(26)18-19-32(27,28)4/h6-8,12-13,22-24,26-31H,9-11,14-21H2,1-5H3/t23?,24-,26?,27?,28?,29?,30-,31-,32+,33-/m1/s1 |
| InChIKey | LVDUMYRMMNZIJX-AUBOCSRRSA-N |
| Instrument Name | Bruker WP-80 |
| Literature Reference | C.SALUZZO, G.ALVERNHE, D.ANKER, G.HAUFE (1990) J.Fluor.Chem.: v.47, N3, 467-479. |
| NMR Standard | CCl3F |
| Observed nucleus | 19F |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |