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Nsquare-carboxy-L-asparagine, Nsquare-tert-butyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Nsquare-carboxy-L-asparagine, Nsquare-tert-butyl ester
SpectraBase Compound ID LsHH576tPnP
InChI InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)
InChIKey FYYSQDHBALBGHX-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C9H16N2O5
Exact Mass 232.105922 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID L6aoC0xwFjJ
Name N2-Carboxy-L-asparagine, N2-tert-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.105921618 u
Formula C9H16N2O5
InChI InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)
InChIKey FYYSQDHBALBGHX-UHFFFAOYSA-N
Molecular Weight 232.236 g/mol
SMILES OC(C(CC(=O)N)NC(=O)OC(C)(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.950797