| SpectraBase Spectrum ID |
EEt8yfP5lJP |
| Name |
Nalpha-acetyl-L-asparagine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.064056806 u |
| Formula |
C6H10N2O4 |
| InChI |
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1 |
| InChIKey |
HXFOXFJUNFFYMO-BYPYZUCNSA-N |
| Molecular Weight |
174.156 g/mol |
| SMILES |
C([C@@](C(=O)O)(NC(=O)C)[H])C(=O)N |
| Spectrum/Structure Validation Score (Raman) |
0.877665 |
