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

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

Aspartame, N-(N-propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID HOprJbFUgOz
InChI InChI=1S/C21H30N2O7/c1-4-11-29-18(24)14-16(23-21(27)30-12-5-2)19(25)22-17(20(26)28-3)13-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKey SYEDMIDLIREFEG-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C21H30N2O7
Exact Mass 422.205301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fx7qlCMYuCU
Name Aspartame, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.205301307 u
Formula C21H30N2O7
InChI InChI=1S/C21H30N2O7/c1-4-11-29-18(24)14-16(23-21(27)30-12-5-2)19(25)22-17(20(26)28-3)13-15-9-7-6-8-10-15/h6-10,16-17H,4-5,11-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKey SYEDMIDLIREFEG-UHFFFAOYSA-N
Molecular Weight 422.478 g/mol
SMILES C1=CC=CC=C1CC(NC(=O)C(NC(OCCC)=O)CC(=O)OCCC)C(=O)OC