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L-Asparagine, N-(N-propyloxycarbonyl)-, N-propyl ester

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

L-Asparagine, N-(N-propyloxycarbonyl)-, N-propyl ester
SpectraBase Compound ID AbIYuZ2j8vh
InChI InChI=1S/C11H20N2O5/c1-3-5-17-10(15)8(7-9(12)14)13-11(16)18-6-4-2/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKey QBHHIGAHLGARNQ-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C11H20N2O5
Exact Mass 260.137222 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GOBr69NJ0Sn
Name L-Asparagine, N-(N-propyloxycarbonyl)-, N-propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.137221747 u
Formula C11H20N2O5
InChI InChI=1S/C11H20N2O5/c1-3-5-17-10(15)8(7-9(12)14)13-11(16)18-6-4-2/h8H,3-7H2,1-2H3,(H2,12,14)(H,13,16)
InChIKey QBHHIGAHLGARNQ-UHFFFAOYSA-N
Molecular Weight 260.290 g/mol
SMILES C(=O)(OCCC)C(NC(OCCC)=O)CC(=O)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972073