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Aspartame, N-(N-propyloxycarbonyl)-, methyl ester

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

Aspartame, N-(N-propyloxycarbonyl)-, methyl ester
SpectraBase Compound ID Jm4Js0ChKXi
InChI InChI=1S/C19H26N2O7/c1-4-10-28-19(25)21-14(12-16(22)26-2)17(23)20-15(18(24)27-3)11-13-8-6-5-7-9-13/h5-9,14-15H,4,10-12H2,1-3H3,(H,20,23)(H,21,25)
InChIKey UBWUWYKUKIEZLK-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C19H26N2O7
Exact Mass 394.174001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyzwfbY58Mv
Name Aspartame, N-(N-propyloxycarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.174001178 u
Formula C19H26N2O7
InChI InChI=1S/C19H26N2O7/c1-4-10-28-19(25)21-14(12-16(22)26-2)17(23)20-15(18(24)27-3)11-13-8-6-5-7-9-13/h5-9,14-15H,4,10-12H2,1-3H3,(H,20,23)(H,21,25)
InChIKey UBWUWYKUKIEZLK-UHFFFAOYSA-N
Molecular Weight 394.424 g/mol
SMILES C1=CC=CC=C1CC(NC(=O)C(NC(OCCC)=O)CC(=O)OC)C(=O)OC