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1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid, 2tms derivative
SpectraBase Compound ID OQ0epAP0hL
InChI InChI=1S/C26H44N2O5Si2/c1-19(2)23(25(30)28-17-13-16-21(28)26(31)33-35(7,8)9)27(3)24(29)22(32-34(4,5)6)18-20-14-11-10-12-15-20/h10-12,14-15,19,21-23H,13,16-18H2,1-9H3
InChIKey XXBPJZWMIIGATQ-UHFFFAOYSA-N
Mol Weight 520.8 g/mol
Molecular Formula C26H44N2O5Si2
Exact Mass 520.278876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gxx4pKrr4NC
Name 1-[2-[(2-Hydroxy-3-phenylpropanoyl)-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 520.278875590 u
Formula C26H44N2O5Si2
InChI InChI=1S/C26H44N2O5Si2/c1-19(2)23(25(30)28-17-13-16-21(28)26(31)33-35(7,8)9)27(3)24(29)22(32-34(4,5)6)18-20-14-11-10-12-15-20/h10-12,14-15,19,21-23H,13,16-18H2,1-9H3
InChIKey XXBPJZWMIIGATQ-UHFFFAOYSA-N
Molecular Weight 520.817 g/mol
SMILES C1(N(CCC1)C(C(C(C)C)N(C)C(C(CC1=CC=CC=C1)O[Si](C)(C)C)=O)=O)C(=O)O[Si](C)(C)C