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3-Iodo-L-thyronine, 3tms derivative
SpectraBase Compound ID Ihc05ip2PwJ
InChI InChI=1S/C24H38INO4Si3/c1-31(2,3)26-22(24(27)30-33(7,8)9)17-18-10-15-23(21(25)16-18)28-19-11-13-20(14-12-19)29-32(4,5)6/h10-16,22,26H,17H2,1-9H3/t22-/m0/s1
InChIKey BXEAZBXWIMFXIN-QFIPXVFZSA-N
Mol Weight 615.7 g/mol
Molecular Formula C24H38INO4Si3
Exact Mass 615.115333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4i1tICfdXVq
Name 3-Iodo-L-thyronine, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 615.115333309 u
Formula C24H38INO4Si3
InChI InChI=1S/C24H38INO4Si3/c1-31(2,3)26-22(24(27)30-33(7,8)9)17-18-10-15-23(21(25)16-18)28-19-11-13-20(14-12-19)29-32(4,5)6/h10-16,22,26H,17H2,1-9H3/t22-/m0/s1
InChIKey BXEAZBXWIMFXIN-QFIPXVFZSA-N
Molecular Weight 615.730 g/mol
SMILES C1(I)=CC(=CC=C1OC1=CC=C(O[Si](C)(C)C)C=C1)C[C@@](C(O[Si](C)(C)C)=O)(N[Si](C)(C)C)[H]