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[3-(Dimethylamino)propyl]malonic acid, diethyl ester

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

[3-(Dimethylamino)propyl]malonic acid, diethyl ester
SpectraBase Compound ID Hy9RlhL4u6Z
InChI InChI=1S/C12H23NO4/c1-5-16-11(14)10(12(15)17-6-2)8-7-9-13(3)4/h10H,5-9H2,1-4H3
InChIKey HPJWCZSMLHGECP-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID pGn2p3Ae8j
Name [3-(Dimethylamino)propyl]malonic acid, diethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-5-16-11(14)10(12(15)17-6-2)8-7-9-13(3)4/h10H,5-9H2,1-4H3
InChIKey HPJWCZSMLHGECP-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES CCOC(C(CCCN(C)C)C(=O)OCC)=O
Spectrum/Structure Validation Score (Raman) 0.965352