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2-{[4-(Difluoromethoxy)-2-methylanilino]carbonyl}cyclohexanecarboxylic acid

View entire compound with spectra: 2 NMR

2-{[4-(Difluoromethoxy)-2-methylanilino]carbonyl}cyclohexanecarboxylic acid
SpectraBase Compound ID 5LWFfVXdafa
InChI InChI=1S/C16H19F2NO4/c1-9-8-10(23-16(17)18)6-7-13(9)19-14(20)11-4-2-3-5-12(11)15(21)22/h6-8,11-12,16H,2-5H2,1H3,(H,19,20)(H,21,22)
InChIKey HJFMWBQZJIEVFC-UHFFFAOYSA-N
Mol Weight 327.33 g/mol
Molecular Formula C16H19F2NO4
Exact Mass 327.128214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5s9QTmQiNb
Name 2-{[4-(Difluoromethoxy)-2-methylanilino]carbonyl}cyclohexanecarboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 327.128214418 u
Formula C16H19F2NO4
InChI InChI=1S/C16H19F2NO4/c1-9-8-10(23-16(17)18)6-7-13(9)19-14(20)11-4-2-3-5-12(11)15(21)22/h6-8,11-12,16H,2-5H2,1H3,(H,19,20)(H,21,22)
InChIKey HJFMWBQZJIEVFC-UHFFFAOYSA-N
Molecular Weight 327.328 g/mol
SMILES N(C(C1C(C(=O)O)CCCC1)=O)C=1C(=CC(OC(F)F)=CC1)C