4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid, N,o-bis-methyl

SpectraBase Compound ID	HW4b0CajjqA
InChI	InChI=1S/C12H13ClFNO3/c1-15(11(16)5-6-12(17)18-2)10-4-3-8(13)7-9(10)14/h3-4,7H,5-6H2,1-2H3
InChIKey	MZQCYQWLGLUZPZ-UHFFFAOYSA-N Google Search
Mol Weight	273.69 g/mol
Molecular Formula	C12H13ClFNO3
Exact Mass	273.056799 g/mol

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SpectraBase Spectrum ID	9hPFCS7LM19
Name	4-[(4-Chloro-2-fluorophenyl)amino]-4-oxobutanoic acid, N,o-bis-methyl
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	273.056799143 u
Formula	C12H13ClFNO3
InChI	InChI=1S/C12H13ClFNO3/c1-15(11(16)5-6-12(17)18-2)10-4-3-8(13)7-9(10)14/h3-4,7H,5-6H2,1-2H3
InChIKey	MZQCYQWLGLUZPZ-UHFFFAOYSA-N
Molecular Weight	273.691 g/mol
SMILES	C(CCC(=O)N(C1=C(C=C(C=C1)Cl)F)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.902318