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1,3-Benzenedicarboxylic acid, 5-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-, dimethyl ester
SpectraBase Compound ID KnMBdcJNfTA
InChI InChI=1S/C17H20ClNO6/c1-17(2,3)13(20)12(18)14(21)19-11-7-9(15(22)24-4)6-10(8-11)16(23)25-5/h6-8,12H,1-5H3,(H,19,21)
InChIKey XRDLUOXARANYAC-UHFFFAOYSA-N
Mol Weight 369.8 g/mol
Molecular Formula C17H20ClNO6
Exact Mass 369.097915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 990WxxqLjd
Name 1,3-Benzenedicarboxylic acid, 5-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]-, dimethyl ester
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Formula C17H20ClNO6
InChI InChI=1S/C17H20ClNO6/c1-17(2,3)13(20)12(18)14(21)19-11-7-9(15(22)24-4)6-10(8-11)16(23)25-5/h6-8,12H,1-5H3,(H,19,21)
InChIKey XRDLUOXARANYAC-UHFFFAOYSA-N
Molecular Weight 369.801 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C(=O)C(Cl)C(=O)C(C)(C)C
SPLASH splash10-0a4i-9251000000-7a9fb2c164af421c8d71
Source of Spectrum JX-2015-3-1494
Synonyms Dimethyl 5-(2-chloro-4,4-dimethyl-3-oxopentanamido)isophthalate Dimethyl 5-[(2-chloro-4,4-dimethyl-3-oxopentanoyl)amino]benzene-1,3-dicarboxylate 5-[(2-chloro-4,4-dimethyl-1,3-dioxopentyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[(2-chloro-4,4-dimethyl-3-oxo-pentanoyl)amino]benzene-1,3-dicarboxylate Dimethyl 5-[(2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylate
Wiley ID 1724979