Butanoic acid, 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxo-, methyl ester

SpectraBase Compound ID	Ch3agDGlhze
InChI	InChI=1S/C11H11FN2O5/c1-19-11(16)5-4-10(15)13-9-6-7(14(17)18)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKey	LIHSLTZTQWHXTJ-UHFFFAOYSA-N Google Search
Mol Weight	270.22 g/mol
Molecular Formula	C11H11FN2O5
Exact Mass	270.0652 g/mol

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SpectraBase Spectrum ID	42HCQW3lGoh
Name	Butanoic acid, 4-[(2-fluoro-5-nitrophenyl)amino]-4-oxo-, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	270.065199620 u
Formula	C11H11FN2O5
InChI	InChI=1S/C11H11FN2O5/c1-19-11(16)5-4-10(15)13-9-6-7(14(17)18)2-3-8(9)12/h2-3,6H,4-5H2,1H3,(H,13,15)
InChIKey	LIHSLTZTQWHXTJ-UHFFFAOYSA-N
Molecular Weight	270.216 g/mol
SMILES	COC(=O)CCC(=O)NC1=CC(=CC=C1F)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.806804