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1,3-Benzenedicarboxylic acid, 5-[(2-chloro-1,3-dioxobutyl)amino]-, dimethyl ester
SpectraBase Compound ID LUKkidFp3Xz
InChI InChI=1S/C14H14ClNO6/c1-7(17)11(15)12(18)16-10-5-8(13(19)21-2)4-9(6-10)14(20)22-3/h4-6,11H,1-3H3,(H,16,18)
InChIKey OWFWGZWTZNNUHX-UHFFFAOYSA-N
Mol Weight 327.72 g/mol
Molecular Formula C14H14ClNO6
Exact Mass 327.050965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0RRslLeZ8l
Name 1,3-Benzenedicarboxylic acid, 5-[(2-chloro-1,3-dioxobutyl)amino]-, dimethyl ester
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Formula C14H14ClNO6
InChI InChI=1S/C14H14ClNO6/c1-7(17)11(15)12(18)16-10-5-8(13(19)21-2)4-9(6-10)14(20)22-3/h4-6,11H,1-3H3,(H,16,18)
InChIKey OWFWGZWTZNNUHX-UHFFFAOYSA-N
Molecular Weight 327.720 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C(=O)C(Cl)C(C)=O
SPLASH splash10-056r-6592000000-1acccde34c288c7c9aab
Source of Spectrum JX-2015-3-476
Synonyms Dimethyl 5-(2-chloro-3-oxobutanamido)isophthalate Dimethyl 5-[(2-chloro-3-oxobutanoyl)amino]benzene-1,3-dicarboxylate 5-[(2-chloro-1,3-dioxobutyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[(2-chloro-3-oxo-butanoyl)amino]benzene-1,3-dicarboxylate Dimethyl 5-[(2-chloranyl-3-oxidanylidene-butanoyl)amino]benzene-1,3-dicarboxylate
Wiley ID 1724042