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2-[(2,5-Dimethylanilino)carbonyl]cyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[(2,5-Dimethylanilino)carbonyl]cyclohexanecarboxylic acid
SpectraBase Compound ID 9VXcmNUzXvW
InChI InChI=1S/C16H21NO3/c1-10-7-8-11(2)14(9-10)17-15(18)12-5-3-4-6-13(12)16(19)20/h7-9,12-13H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKey DUMJNVRUHKJRDJ-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lEVz79Xnof
Name Cyclohexanecarboxylic acid, 2-(2,5-dimethylphenylaaminocarbonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 275.152143537 u
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-10-7-8-11(2)14(9-10)17-15(18)12-5-3-4-6-13(12)16(19)20/h7-9,12-13H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKey DUMJNVRUHKJRDJ-UHFFFAOYSA-N
Molecular Weight 275.348 g/mol
SMILES C(NC1=C(C=CC(=C1)C)C)(C1C(C(=O)O)CCCC1)=O