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1,3-Benzenedicarboxylic acid, 5-[(3-chloro-1-oxopropyl)amino]-, dimethyl ester
SpectraBase Compound ID Eo7Ir3EK6kt
InChI InChI=1S/C13H14ClNO5/c1-19-12(17)8-5-9(13(18)20-2)7-10(6-8)15-11(16)3-4-14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey HFYYLXDYLWKXQI-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 AZ2jns9qaW2
Name 1,3-Benzenedicarboxylic acid, 5-[(3-chloro-1-oxopropyl)amino]-, dimethyl ester
Alternate Name(s) Dimethyl 5-(3-chloropropanamido)isophthalate Dimethyl 5-[(3-chloropropanoyl)amino]benzene-1,3-dicarboxylate 5-[(3-chloro-1-oxopropyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-(3-chloropropanoylamino)benzene-1,3-dicarboxylate Dimethyl 5-(3-chloranylpropanoylamino)benzene-1,3-dicarboxylate
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Formula C13H14ClNO5
InChI InChI=1S/C13H14ClNO5/c1-19-12(17)8-5-9(13(18)20-2)7-10(6-8)15-11(16)3-4-14/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKey HFYYLXDYLWKXQI-UHFFFAOYSA-N
Molecular Weight 299.710 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C(=O)CCCl
SPLASH splash10-0a4i-3490000000-fac5cab963ca18245f25
Source of Spectrum JX-2015-2-1610
Wiley ID 1723242