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(carboxyamino)malonic acid, dimethyl N-ethyl ester

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

(carboxyamino)malonic acid, dimethyl N-ethyl ester
SpectraBase Compound ID 5i7Q7Ok4m5s
InChI InChI=1S/C8H13NO6/c1-4-15-8(12)9-5(6(10)13-2)7(11)14-3/h5H,4H2,1-3H3,(H,9,12)
InChIKey LTHDZWHWMCEKPL-UHFFFAOYSA-N
Mol Weight 219.19 g/mol
Molecular Formula C8H13NO6
Exact Mass 219.074287 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JOE4OlFvGXr
Name (Carboxyamino)malonic acid, dimethyl N-ethyl ester
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/c1-4-15-8(12)9-5(6(10)13-2)7(11)14-3/h5H,4H2,1-3H3,(H,9,12)
InChIKey LTHDZWHWMCEKPL-UHFFFAOYSA-N
Molecular Weight 219.193 g/mol
SMILES N(C(OCC)=O)C(C(OC)=O)C(OC)=O
Spectrum/Structure Validation Score (Raman) 0.874534