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(1R,2S)-2-[(4-Chloroanilino)carbonyl]cyclohexanecarboxylic acid, tms derivative

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(1R,2S)-2-[(4-Chloroanilino)carbonyl]cyclohexanecarboxylic acid, tms derivative
SpectraBase Compound ID 2SGpWSC0OFe
InChI InChI=1S/C17H24ClNO3Si/c1-23(2,3)22-17(21)15-7-5-4-6-14(15)16(20)19-13-10-8-12(18)9-11-13/h8-11,14-15H,4-7H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKey SLNFSYZGRUFTAO-LSDHHAIUSA-N
Mol Weight 353.92 g/mol
Molecular Formula C17H24ClNO3Si
Exact Mass 353.121398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RtdSDhUR85
Name (1R,2S)-2-[(4-Chloroanilino)carbonyl]cyclohexanecarboxylic acid, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 353.121397869 u
Formula C17H24ClNO3Si
InChI InChI=1S/C17H24ClNO3Si/c1-23(2,3)22-17(21)15-7-5-4-6-14(15)16(20)19-13-10-8-12(18)9-11-13/h8-11,14-15H,4-7H2,1-3H3,(H,19,20)/t14-,15+/m0/s1
InChIKey SLNFSYZGRUFTAO-LSDHHAIUSA-N
Molecular Weight 353.921 g/mol
SMILES C1(Cl)=CC=C(C=C1)NC(=O)[C@]1([H])[C@@]([H])(CCCC1)C(=O)O[Si](C)(C)C