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4-(2-Chloro-4,6-dimethylanilino)-4-oxobutanoic acid

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4-(2-Chloro-4,6-dimethylanilino)-4-oxobutanoic acid
SpectraBase Compound ID LuaOvTEO6di
InChI InChI=1S/C12H14ClNO3/c1-7-5-8(2)12(9(13)6-7)14-10(15)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NGPHKUQIHJHPFF-UHFFFAOYSA-N
Mol Weight 255.7 g/mol
Molecular Formula C12H14ClNO3
Exact Mass 255.066221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIqhJ6oTvD0
Name 4-(2-Chloro-4,6-dimethylanilino)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14ClNO3
InChI InChI=1S/C12H14ClNO3/c1-7-5-8(2)12(9(13)6-7)14-10(15)3-4-11(16)17/h5-6H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKey NGPHKUQIHJHPFF-UHFFFAOYSA-N
Molecular Weight 255.701 g/mol
SMILES N(c1c(cc(C)cc1Cl)C)C(CCC(O)=O)=O
SPLASH splash10-0ab9-6920000000-2dfcf33a838d97189d8a
Synonyms 4-(2-Chloro-4,6-dimethyl-anilino)-4-keto-butyric acid 4-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-4-oxidanylidene-butanoic acid
Wiley ID 1457057