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Trans-dehydroandrosterone, (3-cyanopropyl)dimethylsilyl ether
SpectraBase Compound ID IJwWiz63XSQ
InChI InChI=1S/C25H39NO2Si/c1-24-13-11-19(28-29(3,4)16-6-5-15-26)17-18(24)7-8-20-21-9-10-23(27)25(21,2)14-12-22(20)24/h7,19-22H,5-6,8-14,16-17H2,1-4H3
InChIKey FCSNRLNMVLPLGD-UHFFFAOYSA-N
Mol Weight 413.7 g/mol
Molecular Formula C25H39NO2Si
Exact Mass 413.275006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bboPlrQ1Cq
Name Trans-dehydroandrosterone, (3-cyanopropyl)dimethylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 413.275006033 u
Formula C25H39NO2Si
InChI InChI=1S/C25H39NO2Si/c1-24-13-11-19(28-29(3,4)16-6-5-15-26)17-18(24)7-8-20-21-9-10-23(27)25(21,2)14-12-22(20)24/h7,19-22H,5-6,8-14,16-17H2,1-4H3
InChIKey FCSNRLNMVLPLGD-UHFFFAOYSA-N
Molecular Weight 413.677 g/mol
SMILES C12(C(=CCC3C2CCC2(C(=O)CCC32)C)CC(CC1)O[Si](CCCC#N)(C)C)C