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D-p-Chlorophenylalanine, N-dimethylaminomethylene-, butyl ester

View entire compound with spectra: 1 NMR

D-p-Chlorophenylalanine, N-dimethylaminomethylene-, butyl ester
SpectraBase Compound ID 7zTOPyY8Bof
InChI InChI=1S/C16H23ClN2O2/c1-4-5-10-21-16(20)15(18-12-19(2)3)11-13-6-8-14(17)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3/b18-12+
InChIKey NXXVBSCGDZGHDM-LDADJPATSA-N
Mol Weight 310.83 g/mol
Molecular Formula C16H23ClN2O2
Exact Mass 310.144806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SIVFdMQJoq
Name D-p-Chlorophenylalanine, N-dimethylaminomethylene-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.144805687 u
Formula C16H23ClN2O2
InChI InChI=1S/C16H23ClN2O2/c1-4-5-10-21-16(20)15(18-12-19(2)3)11-13-6-8-14(17)9-7-13/h6-9,12,15H,4-5,10-11H2,1-3H3/b18-12+
InChIKey NXXVBSCGDZGHDM-LDADJPATSA-N
Molecular Weight 310.825 g/mol
SMILES C1=CC(=CC=C1CC(\N=C\N(C)C)C(OCCCC)=O)Cl