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21-Hydroxyprogesterone, trimethylsilyl ether, bis(o-methyloxime)
SpectraBase Compound ID KAQw0Uihvig
InChI InChI=1S/C26H44N2O3Si/c1-25-14-12-19(27-29-3)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)24(28-30-4)17-31-32(5,6)7/h16,20-23H,8-15,17H2,1-7H3/b27-19+,28-24-
InChIKey QDEFZWVWFGZSRJ-NMDNHZRBSA-N
Mol Weight 460.7 g/mol
Molecular Formula C26H44N2O3Si
Exact Mass 460.31212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1VOXEcl3bB
Name 21-Hydroxyprogesterone, trimethylsilyl ether, bis(o-methyloxime)
Comments Computed using HOSE algorithm
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Exact Mass 460.312119817 u
Formula C26H44N2O3Si
InChI InChI=1S/C26H44N2O3Si/c1-25-14-12-19(27-29-3)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)24(28-30-4)17-31-32(5,6)7/h16,20-23H,8-15,17H2,1-7H3/b27-19+,28-24-
InChIKey QDEFZWVWFGZSRJ-NMDNHZRBSA-N
Molecular Weight 460.734 g/mol
SMILES C12(C(C3C(C4(C(=C\C(CC4)=N\OC)CC3)C)CC1)CCC2\C(=N/OC)CO[Si](C)(C)C)C