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(3R)-3-(4-Chlorophenyl)-D-glutamic acid, 3tms
SpectraBase Compound ID IEKiZt92IcE
InChI InChI=1S/C20H36ClNO4Si3/c1-27(2,3)22-19(20(24)26-29(7,8)9)17(14-18(23)25-28(4,5)6)15-10-12-16(21)13-11-15/h10-13,17,19,22H,14H2,1-9H3/t17-,19-/m1/s1
InChIKey RZHUQUYKZBAACX-IEBWSBKVSA-N
Mol Weight 474.2 g/mol
Molecular Formula C20H36ClNO4Si3
Exact Mass 473.164066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmDaufMG22q
Name (3R)-3-(4-Chlorophenyl)-D-glutamic acid, 3tms
Comments Computed using HOSE algorithm
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Exact Mass 473.164065944 u
Formula C20H36ClNO4Si3
InChI InChI=1S/C20H36ClNO4Si3/c1-27(2,3)22-19(20(24)26-29(7,8)9)17(14-18(23)25-28(4,5)6)15-10-12-16(21)13-11-15/h10-13,17,19,22H,14H2,1-9H3/t17-,19-/m1/s1
InChIKey RZHUQUYKZBAACX-IEBWSBKVSA-N
Molecular Weight 474.219 g/mol
SMILES C([C@](N[Si](C)(C)C)([C@](CC(=O)O[Si](C)(C)C)(C1=CC=C(C=C1)Cl)[H])[H])(=O)O[Si](C)(C)C