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L-Aspartic acid, N-ethoxycarbonyl-, dimethyl ester

View entire compound with spectra: 1 FTIR

L-Aspartic acid, N-ethoxycarbonyl-, dimethyl ester
SpectraBase Compound ID AQNcAmhO1Oe
InChI InChI=1S/C9H15NO6/c1-4-16-9(13)10-6(8(12)15-3)5-7(11)14-2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKey KALIUPSIBHGHOG-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C9H15NO6
Exact Mass 233.089937 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FgGgZxws9bI
Name L-Aspartic acid, N-ethoxycarbonyl-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.089937201 u
Formula C9H15NO6
InChI InChI=1S/C9H15NO6/c1-4-16-9(13)10-6(8(12)15-3)5-7(11)14-2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKey KALIUPSIBHGHOG-UHFFFAOYSA-N
Molecular Weight 233.220 g/mol
SMILES C(C(C(OC)=O)NC(OCC)=O)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956797