For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5HWkjgoDGFL
Name Aspartame, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
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
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970078