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N-Carbobenzyloxy-.gamma.-aminobutyrylglycine, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Carbobenzyloxy-.gamma.-aminobutyrylglycine, ethyl ester
SpectraBase Compound ID 4efm2iMTGzr
InChI InChI=1S/C16H22N2O5/c1-2-22-15(20)11-18-14(19)9-6-10-17-16(21)23-12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,18,19)
InChIKey KJPQVUZPOZRLRG-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C16H22N2O5
Exact Mass 322.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Li74GN4UZUt
Name N-Carbobenzyloxy-.gamma.-aminobutyrylglycine, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 322.152871811 u
Formula C16H22N2O5
InChI InChI=1S/C16H22N2O5/c1-2-22-15(20)11-18-14(19)9-6-10-17-16(21)23-12-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,17,21)(H,18,19)
InChIKey KJPQVUZPOZRLRG-UHFFFAOYSA-N
Molecular Weight 322.361 g/mol
SMILES C1=C(C=CC=C1)COC(NCCCC(=O)NCC(OCC)=O)=O