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Trans-dehydroandrosterone, dimethyl(3,3,3-trifluoropropyl)silyl ether

View entire compound with spectra: 1 NMR

Trans-dehydroandrosterone, dimethyl(3,3,3-trifluoropropyl)silyl ether
SpectraBase Compound ID KnurDFWG08x
InChI InChI=1S/C24H37F3O2Si/c1-22-11-9-17(29-30(3,4)14-13-24(25,26)27)15-16(22)5-6-18-19-7-8-21(28)23(19,2)12-10-20(18)22/h5,17-20H,6-15H2,1-4H3
InChIKey CTDJVVFETUOWMZ-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C24H37F3O2Si
Exact Mass 442.251491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uwpVE6fjeN
Name Trans-dehydroandrosterone, dimethyl(3,3,3-trifluoropropyl)silyl ether
Comments Computed using HOSE algorithm
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Exact Mass 442.251491453 u
Formula C24H37F3O2Si
InChI InChI=1S/C24H37F3O2Si/c1-22-11-9-17(29-30(3,4)14-13-24(25,26)27)15-16(22)5-6-18-19-7-8-21(28)23(19,2)12-10-20(18)22/h5,17-20H,6-15H2,1-4H3
InChIKey CTDJVVFETUOWMZ-UHFFFAOYSA-N
Molecular Weight 442.638 g/mol
SMILES C12(C(=CCC3C2CCC2(C(=O)CCC32)C)CC(CC1)O[Si](CCC(F)(F)F)(C)C)C