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N2-carboxy-L-asparagine, N2-tert-butyl methyl ester
SpectraBase Compound ID 3LS0e4dQKGu
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
Mol Weight 246.26 g/mol
Molecular Formula C10H18N2O5
Exact Mass 246.121572 g/mol
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Raman Spectrum

Raman Spectrum

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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
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