| SpectraBase Spectrum ID |
JG5tgiKgajQ |
| Name |
Aspartam-A (-H2O) |
| Classification |
Sweetener artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
276.111006999 u |
| Formula |
C14H16N2O4 |
| InChI |
InChI=1S/C14H16N2O4/c1-20-14(19)11(7-9-5-3-2-4-6-9)16-13(18)10-8-12(17)15-10/h2-6,10-11H,7-8H2,1H3,(H,15,17)(H,16,18)/t10-,11?/m0/s1 |
| InChIKey |
BTEGKMLFZDYILE-VUWPPUDQSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
276.292 g/mol |
| Nominal Mass |
276 u |
| Quality |
958 |
| Retention Index |
2233 |
| SMILES |
[C@@]1(C(NC(C(OC)=O)CC=2C=CC=CC2)=O)(NC(C1)=O)[H] |
| SPLASH |
splash10-03di-5910000000-b826c4cc17cd904838a3 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S)-2-((((2S)-4-oxoazetidin-2-yl)carbonyl)amino)-3-phenylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014474 |
