Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, ethyl ester

SpectraBase Compound ID	888gg1dmjLE
InChI	InChI=1S/C8H16N2O3/c1-2-13-8(12)4-3-7(11)10-6-5-9/h2-6,9H2,1H3,(H,10,11)
InChIKey	WYXUYWIRQXWFQV-UHFFFAOYSA-N Google Search
Mol Weight	188.23 g/mol
Molecular Formula	C8H16N2O3
Exact Mass	188.116092 g/mol

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SpectraBase Spectrum ID	FOtaoN07tYX
Name	Butanoic acid, 4-[(2-aminoethyl)amino]-4-oxo-, ethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	188.116092380 u
Formula	C8H16N2O3
InChI	InChI=1S/C8H16N2O3/c1-2-13-8(12)4-3-7(11)10-6-5-9/h2-6,9H2,1H3,(H,10,11)
InChIKey	WYXUYWIRQXWFQV-UHFFFAOYSA-N
Molecular Weight	188.227 g/mol
SMILES	CCOC(=O)CCC(=O)NCCN
Spectrum/Structure Validation Score (Vapor Phase IR)	0.954973