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Butyl N-(N-acetylphenylalanyl)-1-pyrrolidinecarboxylate

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

Butyl N-(N-acetylphenylalanyl)-1-pyrrolidinecarboxylate
SpectraBase Compound ID 9YZjhBjgJZw
InChI InChI=1S/C20H28N2O4/c1-3-4-13-26-20(25)18-11-8-12-22(18)19(24)17(21-15(2)23)14-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-14H2,1-2H3,(H,21,23)
InChIKey BKGLGKAMVCRCLA-UHFFFAOYSA-N
Mol Weight 360.45 g/mol
Molecular Formula C20H28N2O4
Exact Mass 360.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LjJtVmQbuQg
Name Butyl N-(N-acetylphenylalanyl)-1-pyrrolidinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 360.204907386 u
Formula C20H28N2O4
InChI InChI=1S/C20H28N2O4/c1-3-4-13-26-20(25)18-11-8-12-22(18)19(24)17(21-15(2)23)14-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-14H2,1-2H3,(H,21,23)
InChIKey BKGLGKAMVCRCLA-UHFFFAOYSA-N
Molecular Weight 360.454 g/mol
SMILES C1N(C(CC1)C(OCCCC)=O)C(C(CC1=CC=CC=C1)NC(=O)C)=O