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3-[(2-carboxycyclohexanecarbonyl)amino]benzoic acid
SpectraBase Compound ID IidAk1kFTHx
InChI InChI=1S/C15H17NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey LHZDDILKQAJPCN-UHFFFAOYSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TIsh5kVNLP
Name 3-[(2-carboxycyclohexanecarbonyl)amino]benzoic acid
Alternate Name(s) 3-[(2-carboxycyclohexyl)carbonylamino]benzoic acid 3-[[(2-carboxycyclohexyl)-oxomethyl]amino]benzoic acid Benzoic acid, 3-(2-carboxycyclohexanoylamino)-
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Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c17-13(11-6-1-2-7-12(11)15(20)21)16-10-5-3-4-9(8-10)14(18)19/h3-5,8,11-12H,1-2,6-7H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey LHZDDILKQAJPCN-UHFFFAOYSA-N
Molecular Weight 291.303 g/mol
SMILES OC(C1C(C(Nc2cc(C(=O)O)ccc2)=O)CCCC1)=O
SPLASH splash10-0gcc-9000000000-2fe4cb04a8c8596c4909
Wiley ID 1439363