SpectraBase Spectrum ID |
7YyELLbxUcc |
Name |
N2-Carboxy-L-asparagine, N2-tert-butyl methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.121571683 u |
Formula |
C10H18N2O5 |
InChI |
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-6(5-7(11)13)8(14)16-4/h6H,5H2,1-4H3,(H2,11,13)(H,12,15) |
InChIKey |
WBCWYEJCFYVRMG-UHFFFAOYSA-N |
Molecular Weight |
246.263 g/mol |
SMILES |
N(C(CC(N)=O)C(=O)OC)C(OC(C)(C)C)=O |
Spectrum/Structure Validation Score (Raman) |
0.939628 |