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1,3-Benzenedicarboxylic acid, 5-[(2-chloro-1-oxopropyl)amino]-, dimethyl ester
SpectraBase Compound ID 2beRJ0LKsZa
InChI InChI=1S/C13H14ClNO5/c1-7(14)11(16)15-10-5-8(12(17)19-2)4-9(6-10)13(18)20-3/h4-7H,1-3H3,(H,15,16)
InChIKey YGPCOBCATAOLDP-UHFFFAOYSA-N
Mol Weight 299.71 g/mol
Molecular Formula C13H14ClNO5
Exact Mass 299.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iaw4950puNX
Name 1,3-Benzenedicarboxylic acid, 5-[(2-chloro-1-oxopropyl)amino]-, dimethyl ester
Alternate Name(s) Dimethyl 5-(2-chloropropanamido)isophthalate Dimethyl 5-[(2-chloropropanoyl)amino]benzene-1,3-dicarboxylate 5-[(2-chloro-1-oxopropyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-(2-chloropropanoylamino)benzene-1,3-dicarboxylate Dimethyl 5-(2-chloranylpropanoylamino)benzene-1,3-dicarboxylate
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Formula C13H14ClNO5
InChI InChI=1S/C13H14ClNO5/c1-7(14)11(16)15-10-5-8(12(17)19-2)4-9(6-10)13(18)20-3/h4-7H,1-3H3,(H,15,16)
InChIKey YGPCOBCATAOLDP-UHFFFAOYSA-N
Molecular Weight 299.710 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C(=O)C(C)Cl
SPLASH splash10-052s-2391000000-218b66d09e39f3b87192
Source of Spectrum JX-2015-2-1609
Wiley ID 1723241