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Methyl N-(benzyloxycarbonyl)-1-prolyl-1-serinate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl N-(benzyloxycarbonyl)-1-prolyl-1-serinate
SpectraBase Compound ID 5HMO2F4wG4T
InChI InChI=1S/C17H22N2O6/c1-24-16(22)13(10-20)18-15(21)14-8-5-9-19(14)17(23)25-11-12-6-3-2-4-7-12/h2-4,6-7,13-14,20H,5,8-11H2,1H3,(H,18,21)
InChIKey XUWFIUSVOAYEHW-UHFFFAOYSA-N
Mol Weight 350.37 g/mol
Molecular Formula C17H22N2O6
Exact Mass 350.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99jr0Z7XfjP
Name Methyl N-(benzyloxycarbonyl)-1-prolyl-1-serinate
Comments Computed using HOSE algorithm
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Exact Mass 350.147786430 u
Formula C17H22N2O6
InChI InChI=1S/C17H22N2O6/c1-24-16(22)13(10-20)18-15(21)14-8-5-9-19(14)17(23)25-11-12-6-3-2-4-7-12/h2-4,6-7,13-14,20H,5,8-11H2,1H3,(H,18,21)
InChIKey XUWFIUSVOAYEHW-UHFFFAOYSA-N
Molecular Weight 350.371 g/mol
SMILES C(N1C(C(NC(C(=O)OC)CO)=O)CCC1)(OCC1=CC=CC=C1)=O