| SpectraBase Spectrum ID |
DyvOj8uZqIX |
| Name |
Aspartame, N-methoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.142701049 u |
| Formula |
C17H22N2O7 |
| InChI |
InChI=1S/C17H22N2O7/c1-24-14(20)10-12(19-17(23)26-3)15(21)18-13(16(22)25-2)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,21)(H,19,23) |
| InChIKey |
KEZZPBBMEXSFEU-UHFFFAOYSA-N |
| Molecular Weight |
366.370 g/mol |
| SMILES |
C1=CC=CC=C1CC(NC(=O)C(NC(OC)=O)CC(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942985 |
