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dl-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, methyl ester, tms derivative

View entire compound with spectra: 1 NMR

dl-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, methyl ester, tms derivative
SpectraBase Compound ID JylTLPSfu8i
InChI InChI=1S/C17H28Cl2N2O2Si/c1-23-17(22)16(20-24(2,3)4)13-14-5-7-15(8-6-14)21(11-9-18)12-10-19/h5-8,16,20H,9-13H2,1-4H3
InChIKey YFVQAXQNBUTXBK-UHFFFAOYSA-N
Mol Weight 391.41 g/mol
Molecular Formula C17H28Cl2N2O2Si
Exact Mass 390.12971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlghxQPz8CB
Name dl-Phenylalanine, 4-[bis(2-chloroethyl)amino]-, methyl ester, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 390.129710083 u
Formula C17H28Cl2N2O2Si
InChI InChI=1S/C17H28Cl2N2O2Si/c1-23-17(22)16(20-24(2,3)4)13-14-5-7-15(8-6-14)21(11-9-18)12-10-19/h5-8,16,20H,9-13H2,1-4H3
InChIKey YFVQAXQNBUTXBK-UHFFFAOYSA-N
Molecular Weight 391.414 g/mol
SMILES C(Cl)CN(CCCl)C1=CC=C(C=C1)CC(N[Si](C)(C)C)C(=O)OC