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3-[(3-carboxy-2,2,3-trimethyl-cyclopentyl)carbonylamino]benzoic acid
SpectraBase Compound ID ESreb3vQiW0
InChI InChI=1S/C17H21NO5/c1-16(2)12(7-8-17(16,3)15(22)23)13(19)18-11-6-4-5-10(9-11)14(20)21/h4-6,9,12H,7-8H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)
InChIKey VYQKLFAQJYCAQY-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqfDLpKrvwn
Name 3-[(3-carboxy-2,2,3-trimethyl-cyclopentyl)carbonylamino]benzoic acid
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Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-16(2)12(7-8-17(16,3)15(22)23)13(19)18-11-6-4-5-10(9-11)14(20)21/h4-6,9,12H,7-8H2,1-3H3,(H,18,19)(H,20,21)(H,22,23)
InChIKey VYQKLFAQJYCAQY-UHFFFAOYSA-N
Molecular Weight 319.357 g/mol
SMILES OC(C1(C(C(C(Nc2cc(C(=O)O)ccc2)=O)CC1)(C)C)C)=O
SPLASH splash10-000i-6900000000-f958eb90436dd4acdaf8
Synonyms 3-[[(3-carboxy-2,2,3-trimethylcyclopentyl)-oxomethyl]amino]benzoic acid 3-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]benzoic acid
Wiley ID 1451893