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L-Aspartic acid, N-(N-propyloxycarbonyl)-

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

L-Aspartic acid, N-(N-propyloxycarbonyl)-
SpectraBase Compound ID CcUffrMlxyi
InChI InChI=1S/C8H13NO6/c1-2-3-15-8(14)9-5(7(12)13)4-6(10)11/h5H,2-4H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKey MSKNWWYDBNBXGN-UHFFFAOYSA-N
Mol Weight 219.19 g/mol
Molecular Formula C8H13NO6
Exact Mass 219.074287 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AxgNuFh4TIn
Name L-Aspartic acid, N-(N-propyloxycarbonyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.074287137 u
Formula C8H13NO6
InChI InChI=1S/C8H13NO6/c1-2-3-15-8(14)9-5(7(12)13)4-6(10)11/h5H,2-4H2,1H3,(H,9,14)(H,10,11)(H,12,13)
InChIKey MSKNWWYDBNBXGN-UHFFFAOYSA-N
Molecular Weight 219.193 g/mol
SMILES C(C(C(O)=O)NC(OCCC)=O)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.882027