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3-{[2-(methoxycarbonyl)anilino]carbonyl}-1,2,2-trimethylcyclopentanecarboxylic acid
SpectraBase Compound ID GX1CfMcmnHT
InChI InChI=1S/C18H23NO5/c1-17(2)12(9-10-18(17,3)16(22)23)14(20)19-13-8-6-5-7-11(13)15(21)24-4/h5-8,12H,9-10H2,1-4H3,(H,19,20)(H,22,23)/t12-,18+/m1/s1
InChIKey TVQTWEZLNOFBGS-XIKOKIGWSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XUSurv5RKx
Name 3-{[2-(methoxycarbonyl)anilino]carbonyl}-1,2,2-trimethylcyclopentanecarboxylic acid
Alternate Name(s) 3-[(2-carbomethoxyphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid 3-[(2-methoxycarbonylanilino)-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid 3-[(2-methoxycarbonylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentane-1-carboxylic acid 3-[(2-methoxycarbonylphenyl)carbamoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid Benzoic acid, 2-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]-, methyl ester
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Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-17(2)12(9-10-18(17,3)16(22)23)14(20)19-13-8-6-5-7-11(13)15(21)24-4/h5-8,12H,9-10H2,1-4H3,(H,19,20)(H,22,23)/t12-,18+/m1/s1
InChIKey TVQTWEZLNOFBGS-XIKOKIGWSA-N
Molecular Weight 333.384 g/mol
SMILES OC([C@]1(C([C@@](C(Nc2c(C(=O)OC)cccc2)=O)(CC1)[H])(C)C)C)=O
SPLASH splash10-0udi-5900000000-938d92cb807a63c561e8
Wiley ID 1447544