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1,3-benzenedicarboxylic acid, 5-[[(3,4-dimethylphenoxy)acetyl]amino]-
SpectraBase Compound ID CWKqO4uJZnf
InChI InChI=1S/C18H17NO6/c1-10-3-4-15(5-11(10)2)25-9-16(20)19-14-7-12(17(21)22)6-13(8-14)18(23)24/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKey SGLLLDXVUKQGDR-UHFFFAOYSA-N
Mol Weight 343.34 g/mol
Molecular Formula C18H17NO6
Exact Mass 343.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL5lYD2yxAz
Name 5-[2-(3,4-dimethylphenoxy)ethanoylamino]benzene-1,3-dicarboxylic acid
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Formula C18H17NO6
InChI InChI=1S/C18H17NO6/c1-10-3-4-15(5-11(10)2)25-9-16(20)19-14-7-12(17(21)22)6-13(8-14)18(23)24/h3-8H,9H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)
InChIKey SGLLLDXVUKQGDR-UHFFFAOYSA-N
Molecular Weight 343.335 g/mol
SMILES OC(c1cc(cc(c1)C(=O)O)NC(=O)COc1cc(C)c(cc1)C)=O
SPLASH splash10-006x-9701000000-c7fe2e5e10e3e86ee7f6
Synonyms 5-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid 5-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid 5-{[(3,4-dimethylphenoxy)acetyl]amino}isophthalic acid
Wiley ID 1450934